![C42H52N5O9P Sitidien, N-asetiel-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-metiel-, 3' – [2-sianoetiel N,N-bis(1-metieletiel)fosforamidiet] ( ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Sitidien, N-asetiel-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-metiel-, 3' – [2-sianoetiel N,N-bis(1-metieletiel)fosforamidiet] ( ACI) Uitstalbeeld](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Sitidien, N-asetiel-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-metiel-, 3' – [2-sianoetiel N,N-bis(1-metieletiel)fosforamidiet] ( ACI)
CAS-registernommer
199593-09-4
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 801,87 | - |
| pKa (Voorspel) | 10,18±0,20 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE
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)C
Isomeriese GLIMLAGE
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
InChI
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)27-53 -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-sleutel
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Ander naam vir hierdie stof
Sitidien,N-asetiel-5′ -O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-metiel-, 3'- [2-sianoetiel bis(1-metieletiel)fosforamidiet] (9CI)
Eiendomme beskikbaar
Biologiese
Chemiese
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 4,77 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 50,1 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2190 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 21700 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 35700 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 37800 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 37900 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 37300 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 31400 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 12300 | pH 10; Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendomswaarde Toestand Bron |
| 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 |
| Eiendom | Waarde | Toestand | Bron |
| 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 Intrinsieke Oplosbaarheid | 1,8 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,4 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,14 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 3,1 x 10-3 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 3,2 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,9 x 10-4 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,8 x 10-4 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,8 x 10-4 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,8 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,2 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,6 x 10-4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,8 x 10-4 g/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 2,3 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,8 x 10-3 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,7 x 10-4 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,9 x 10-6 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 4,0 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,4 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,8 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,0 x 10-7 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-7 mol/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 801,87 | ||
| pKa | 10,18±0,20 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Mees Basiese Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 18 | (1) ACD | |
| H Aanvaarders | 14 | (1) ACD | |
| H Skenkers | 1 | (1) ACD | |
| H Skenker/Aanvaarder Som | 15 | (1) ACD | |
| logP | 6,329±0,771 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 801,87 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Waarde | Toestand Bron |
| Polêre Oppervlakte | 167 A2 | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
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