![C50H60N5O10P Sitidien, N-bensoyl-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O- (2-metoksiediel)- 5-metiel-, 3' – [2-sianoetiel N,N-bis (1-metieletiel) fosforamidiet] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Sitidien, N-bensoyl-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O- (2-metoksiediel)- 5-metiel-, 3' – [2-sianoetiel N,N-bis (1-metieletiel) fosforamidiet] (ACI) Uitstalbeeld](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Sitidien, N-bensoyl-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O- (2-metoksiediel)- 5-metiel-, 3' – [2-sianoetiel N,N-bis (1-metieletiel) fosforamidiet] (ACI)
CAS-registernommer
163759-94-2
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 922,01 | - |
| pKa (Voorspel) | 8,59±0,40 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)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](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13- 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1
InChI-sleutel
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Ander name vir hierdie stof
Sitidien,N-benzoyl-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-(2-metoksietiel)- 5-metiel-, 3'- [2-sianoetiel bis(1-metieletiel) fosforamidiet] (9CI);12: PN: WO03084478 BLADSY: 57 geëis DNA;14: PN: US20030170636 BLADSY: 17 geëis DNA;15: PN: U
S20030211606 BLADSY: 19 geëis DNS;15: PN: US20030212017 BLADSY: 19 geëis DNA;16: PN: US20040005569 BLADSY: 22 geëis DNA;17: PN: US20040006030 BLADSY: 23 geëis DNA;17: PN: US20040014049 BLADSY: 20 geëis DNA;18: PN: US20040014047 PAG E: 20 geëisde DNA;18: PN: US20040014048 BLADSY: 20 geëis DNA;18: PN: US20040014050 BLADSY: 20 geëis DNA;19: PN: U
S20030171313 BLADSY: 9 geëis DNA;19: PN: US20030198965 BLADSY: 20 geëis DNA;19: PN: US20040005565 BLADSY: 17- 22 geëis DNA;19: PN: US20040005570 BLADSY: 20 geëis DNA;19: PN: US20040014051 BLADSY: 22 geëis DNA;20: PN: US20040014699 PAG
E: 20 geëisde DNA;21: PN: US20040006029 BLADSY: 23 geëis DNA;21: PN: WO03106645 BLADSY: 72 geëis DNA;61: PN: US20030
166592 BLADSY: 15 geëis DNA;7: PN: WO2005006958 BLADSY: 62 geëis DNA;84: PN: US20040171566 BLADSY: 18 geëis DNA;92:
PN: US20040005707 BLADSY: 20 geëis DNA;9: PN: WO2005007825 BLADSY: 62 geëis DNA;N4-benzoyl-2' -O-metoksietiel-5-O- dimetoksitritiel-5-metielsitidine-3'-fosforamidiet;N4-benzoyl-2' -O-metoksietiel-5' -O-dimetoksitritiel-5-metielsitidine-3'-amidiet
Spektra beskikbaar
13C KMR
Hetero KMR
Eiendomme beskikbaar
Biologiese
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 171 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1250 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 47600 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 6,44 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 7,79 x 105 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,63 x 105 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 30800 | 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)
| Eiendom | Waarde | Toestand | Bron |
| Koc | 106 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 773 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 29500 | pH 3;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Koc | 3,99 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 8,02 x 105 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 8,70 x 105 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 8,16 x 105 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 4,83 x 105 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 1,01 x 105 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 19100 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 4,48 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 5,34 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 6,92 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 8.06 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 8,36 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 8,39 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 8,37 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 8.14 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 7,46 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 6,73 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 8,401±0,723 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 1,4 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,1 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,16 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 4,1 x 10-3 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 3,0 x 10-4 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,5 x 10-4 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,4 x 10-4 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,5 x 10-4 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,5 x 10-4 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,2 x 10-3 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 6,3 x 10-3 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,5 x 10-4 g/L | Ongebufferde water pH 6,97;Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 1,5 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,2 x 10-3 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 1,7 x 10-4 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 4,4 x 10-6 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,2 x 10-7 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-7 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,5 x 10-7 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-7 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,7 x 10-7 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-6 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 6,8 x 10-6 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-7 mol/L | Ongebufferde water pH 6,97;Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 922,01 | ||
| pKa | 8,59±0,40 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 3,87±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 | 22 | (1) ACD | |
| H Aanvaarders | 15 | (1) ACD | |
| H Skenkers | 1 | (1) ACD | |
| H Skenker/Aanvaarder Som | 16 | (1) ACD | |
| logP | 8,401±0,723 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 922,01 |
(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 | 176 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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