![C33H35N3O8 CYTIDINE, N-asetýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 cýtídín, N-asetýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýl- (9ci, ACI) var með mynd.](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 CYTIDINE, N-asetýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýl- (9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 601.65 | - |
| Þéttleiki (spáð) | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 10,19 ± 0,20 | Sýrtasta temp: 25 ° C |
Canonical bros O = C1N = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Isomeric bros C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = CC
Tommur
Inchi = 1s/C33H35N3O8/C1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-6-5-7-9-22,23-10-14-25 (40-6-5-7-2-22,23-10-25 (40-2-2) 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/m1/S1
Inchi lykill
Finuhojildnelq-pmfucwtesa-n
1 annað nafn fyrir þetta efni
N-asetýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýlsýtidín (ACI)
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 8.87 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 27.8 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 171 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 515 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 650 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 668 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 668 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 657 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 560 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 229 | 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 | 48.6 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 152 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 935 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2820 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 3560 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 3600 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 3070 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1250 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.14 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.64 | pH 2; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| logd | 3.43 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.91 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.94 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.55 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.021 ± 0,768 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 1,3 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,10 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,032 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,2 x 10-3 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,7 x 10-3 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,4 x 10-3 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-3 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-3 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,6 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-3 g/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 2,2 x 10-6 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,7 x 10-4 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,3 x 10-5 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,6 x 10-6 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,9 x 10-6 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,3 x 10-6 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,2 x 10-6 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,2 x 10-6 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,2 x 10-6 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,6 x 10-6 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,4 x 10-6 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 2,2 x 10-6 mól/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 601.65 | ||
| PKA | 10,19 ± 0,20 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | 3,57 ± 0,20 | Grundvöllurinn: 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 | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 466,5 ± 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 | 11 | (1) ACD | |
| H samþykki | 11 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 13 | (1) ACD | |
| logp | 4.021 ± 0,768 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 601.65 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 128 A2 | (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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