![C42H52N5O9P cýtídín, N-asetýl-5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O-metýl-, 3 ′-[2-cyanoethyl N, N-bis (1-metýletýl) fosfóramídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P CYTIDINE, N-asetýl-5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O-metýl-, 3 ′-[2-cyanoethyl N, N-BI (1-Metýletýl) fosfóramídít] (Aci) lögun mynd.](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P cýtídín, N-asetýl-5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O-metýl-, 3 ′-[2-cyanoethyl N, N-bis (1-metýletýl) fosfóramídít] (ACI)
CAS skrásetningarnúmer
199593-09-4
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 801.87 | - |
| PKA (spáð) | 10,18 ± 0,20 | Sýrtasta temp: 25 ° C |
Canonical bros
N#CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C (C) C.
Isomicer bros
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Tommur
Inchi = 1s/C42H52N5O9p/C1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8) 46-25-23-37 (44-30 (5) 48) 45-41 (46) 49) 27-50 (5) 48) 45-41 (46) -42 (31-13-10-9-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33/H9-11,13-23,25,28-29,36,38-40H, 12,26-27h2,1-8h3, (( H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Inchi lykill
Wnwumipfloktez-uaqipllrsa-n
1 annað nafn fyrir þetta efni
Cytidine,N-Cetyl -5 ′ -O-[bis (4-metoxýfenýl) fenýlmetýl] -2 ′-O-metýl-, 3 ′-[2-cýanóetýl bis (1-metýletýl) fosfóramídít] (9ci)
Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 4.77 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 50.1 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2190 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 21700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 35700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 37800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 37900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 37300 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 31400 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 12300 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Heimild fasteignaverðs |
| KOC 8.29 pH 1; Temp: 25 ° C (1) ACD |
| KOC 87,1 pH 2; Temp: 25 ° C (1) ACD |
| KOC 3800 pH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 pH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 pH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 PH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 pH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 pH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 pH 10; Temp: 25 ° C (1) ACD |
| logd 2.43 pH 1; Temp: 25 ° C (1) ACD |
| logd 3.45 pH 2; Temp: 25 ° C (1) ACD |
| Logd 5.09 pH 3; Temp: 25 ° C (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| logd | 6.09 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.32 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.25 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.329 ± 0,771 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 1,8 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,14 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,1 x 10-3 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,9 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,8 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,8 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,2 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,8 x 10-4 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 2,3 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-3 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,7 x 10-4 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,9 x 10-6 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,0 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,4 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,3 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,3 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,3 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,8 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,0 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,3 x 10-7 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Mólmassa | 801.87 | ||
| PKA | 10,18 ± 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)
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 18 | (1) ACD | |
| H samþykki | 14 | (1) ACD | |
| H styrktaraðilar | 1 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 15 | (1) ACD | |
| logp | 6.329 ± 0,771 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 801.87 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
| Eign | Gildi | SKILYRÐI |
| Polar yfirborð | 167 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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