![C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-A] pyrimidin-6-one, 2-[[bis (4-metoxý fenýl) fenýlmetoxý] metýl] -2,3,3a, 9a-tetrahýdro-3-hýdroxy-7- Methyl-, 9a-tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,, (2R, 3R, 3AS, 9ar)- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-A] pyrimidin-6-one, 2-[[bis (4-metoxý fenýl) fenýlmetoxý] metýl] -2,3,3a, 9a-tetrahýdro-3-hýdroxy-7- Methyl-, 9a-tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,, (2R, 3R, 3AS, 9ar)- (9ci, ACI) var með mynd](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-A] pyrimidin-6-one, 2-[[bis (4-metoxý fenýl) fenýlmetoxý] metýl] -2,3,3a, 9a-tetrahýdro-3-hýdroxy-7- Methyl-, 9a-tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,,, 9a-Tetrahýdro-3-hýdroxy-7- Methyl-,,, (2R, 3R, 3AS, 9ar)- (9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 542.58 | - |
| Suðumark (spáð) | 692,9 ± 65,0 ° C. | Press: 760 Torr |
| Þéttleiki (spáð) | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 12,51 ± 0,60 | Sýrtasta temp: 25 ° C |
Canonical bros O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Isomeric brosir C (OC [C@H] 1O [C @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Tommur
Inchi = 1s/C31H30N2O7/C1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-2-6-8-8-20,21-9-13-23 (36-2) 14-10-21
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34H, 18H2,1-3H3/T25-, 26-, 27+, 29-/m1/S1
Inchi lykill
Bqeqceznlikssh-cithkvlssa-n
1 annað nafn fyrir þetta efni
(2R, 3R, 3AS, 9ar) -2-[[Bis (4-metoxýfenýl) fenýlmetoxý] metýl] -2,3,3a, 9a-tetrahýdró-3-hýdroxý-7-metýl-6H-fúró [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one (ACI)
Litróf í boði
1H NMR
13c nmr
Messa
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
| Hitauppstreymi |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 2800 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2790 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 10200 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 5; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 10200 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4,839 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 3,6 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,6 x 10-4 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 6,6 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 6,6 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,7 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 542.58 | ||
| PKA | 12,51 ± 0,60 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | -4,38 ± 0,60 | Grundvöllurinn: 25 ° C | (1) ACD |
| Gufuþrýstingur | 3,73 x 10-20 torr | Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 404,9 ± 7,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 9 | (1) ACD | |
| H samþykki | 9 | (1) ACD | |
| H styrktaraðilar | 1 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 10 | (1) ACD | |
| logp | 4,839 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 542.58 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 99.1 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Suðumark | 692,9 ± 65,0 ° C. | Press: 760 Torr | (1) ACD |
| Enthalpy af gufu | 106,61 ± 3,0 kJ/mól | Press: 760 Torr | (1) ACD |
| Flashpunktur | 372,8 ± 34,3 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
![C39H37N5O7 adenósín, N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-metýl- (9ci, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C20H31NO5 heptanósýra, 3- hýdroxý-5-metýl-4-[[(fenýlmetoxý) karbónýl] amínó]-, 1,1-dímetýletýl ester, [3R- (3R*, 4S*, 5S*)]-(9CI) H301 (3R*, 4S*, 5S*)]-(9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C47H51FN7O7P adenósín, N-benzóýl-5 ′ -O- [Bis (4-metoxýfenýl) fenýlmetýl] -2 ′-deoxý-2 ′ -flúoró-, 3 ′-[2-cyanoethyl n, n-bis (1-metýl) fosfór amidite] (aci)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C34H39N3O8 CYTIDINE, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O- (2-metox yethyl) -5-metýl- (9ci, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C21H23N3O5 L-Fornithine, N5- (amínókarbónýl) -n2-[(9H-flúoren-9-ylmetoxy) karbónýl]-(9ci, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)