![C30H28N2O7 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-, (2R, 3R, 3As, 9ar)-3)-)-)-)-9)-9)-)-)-)- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 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-, (2R, 3R, 3As, 9ar)-3)-)-)-)-9)-9)-)-)-)- (9ci, ACI) var með mynd](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 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-, (2R, 3R, 3As, 9ar)-3)-)-)-)-9)-9)-)-)-)- (9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 528.55 | - |
| Bræðslumark (tilrauna) | 129,5-130 ° C. | - |
| Suðumark (spáð) | 688,2 ± 65,0 ° C. | Press: 760 Torr |
| Þéttleiki (spáð) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 12,51 ± 0,40 | Sýrtasta temp: 25 ° C |
Canonical bros O = C1N = C2OC3C (O) C (OC3N2C = C1) 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 = CC (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Tommur
Inchi = 1s/C30H28N2O7/C1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-3-7-7-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27/H3-17,24,26-28,34H, 18H2,1-2H3/T24-, 26-, 27+, 28-/m1/S1
Inchi lykill
OEirLWHCGAICDW-AOGFTHLWSA-N
2 önnur nöfn fyrir þetta efni
(2R, 3R, 3AS, 9AR) -2-[[BIS (4-metoxýfenýl) fenýlmetoxý] metýl] -2,3,3a, 9a-tetrahýdró-3-hýdroxý-6H-fúró [2 ′, 3 ′: 4,5] oxazóló [3,2-a] pyrimidin-6-einn (aci); 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pýrimidín-6-one, 2-[[bis (4-metoxýfenýl) fenýlmetoxý] metýl] -2,3,3a, 9a--
tetrahýdró-3-hýdroxý-, [2R- (2a, 3β, 3aβ, 9aβ)]-(ZCI)
| Eignir í boði |
| Hitauppstreymi |
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Bræðslumark | 129,5-130 ° C. | (1) Cas | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, Capus
| Litróf í boði |
| 1H NMR |
| 13c nmr |
| IR |
| Messa |
Spáð eiginleikum
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
| Hitauppstreymi |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 1360 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 7; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 1360 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1360 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1350 | 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 | 6080 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 6070 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 6060 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.424 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 5,8 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Massa leysni | 5,8 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-4 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 1,1 x 10-6 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,1 x 10-6 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 528.55 | ||
| PKA | 12,51 ± 0,40 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | -4,70 ± 0,60 | Grundvöllurinn: 25 ° C | (1) ACD |
| Gufuþrýstingur | 6,91 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 | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 389,8 ± 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 | |
| Eign | Gildi | Ástand | Uppspretta |
| H samþykki | 9 | (1) ACD | |
| H styrktaraðilar | 1 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 10 | (1) ACD | |
| logp | 4.424 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 528.55 |
(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 | 688,2 ± 65,0 ° C. | Press: 760 Torr | (1) ACD |
| Enthalpy af gufu | 105,96 ± 3,0 kJ/mól | Press: 760 Torr | (1) ACD |
| Flashpunktur | 370,0 ± 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
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