![C50H60N5O10P Cítínín, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methocsaitil)- 5-meitil-, 3′ – [2-cianoethyl N,N-bis (1-meitileitil) fosfaraimídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cítínín, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methocsaitil)- 5-meitil-, 3′ – [2-cianoethyl N,N-bis (1-methylethyl) fosfaramidite] (ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cítínín, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methocsaitil)- 5-meitil-, 3′ – [2-cianoethyl N,N-bis (1-meitileitil) fosfaraimídít] (ACI)
Uimhir Chláraithe CAS
163759-94-2
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 922. 01 | - |
| pKa (Tuartha) | 8.59±0.40 | Teocht is Airde: 25 °C |
SMILES Canonical
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
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(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
Eochair InChI
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Ainmneacha Eile don tSubstaint seo
Citídine,N-benzoyl-5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O-(2-methocsaieitil)- 5-meitil-, 3′ - [2-chianoethyl bis(1-meitileitil) fosfaraimít] (9CI);12: PN: WO03084478 LEATHANACH: 57 éileamh DNA;14: PN: US20030170636 LEATHANACH: 17 éileamh DNA;15: PN: U
S20030211606 LEATHANACH: 19 éileamh DNA;15: PN: US20030212017 LEATHANACH: 19 éileamh DNA;16: PN: US20040005569 LEATHANACH: 22 éileamh DNA;17: PN: US20040006030 LEATHANACH: 23 éileamh DNA;17: PN: US20040014049 LEATHANACH: 20 éileamh DNA;18: PN: US20040014047 PAG E: 20 éileamh DNA;18: PN: US20040014048 LEATHANACH: 20 éileamh DNA;18: PN: US20040014050 LEATHANACH: 20 éileamh DNA;19: PN: U
S20030171313 LEATHANACH: 9 éileamh DNA;19: PN: US20030198965 LEATHANACH: 20 éileamh DNA;19: PN: US20040005565 LEATHANACH: 17- 22 éileamh DNA;19: PN: US20040005570 LEATHANACH: 20 éileamh DNA;19: PN: US20040014051 LEATHANACH: 22 éileamh DNA;20: PN: US20040014699 PAG
E: 20 éileamh DNA;21: PN: US20040006029 LEATHANACH: 23 éileamh DNA;21: PN: WO03106645 LEATHANACH: 72 éileamh DNA;61: PN: US20030
166592 LEATHANACH: 15 éileamh DNA;7: PN: WO2005006958 LEATHANACH: 62 éileamh DNA;84: PN: US20040171566 LEATHANACH: 18 éileamh DNA;92:
PN: US20040005707 LEATHANACH: 20 éileamh DNA;9: PN: WO2005007825 LEATHANACH: 62 éileamh DNA;N4- Benzoyl- 2′ -O-meitil-eitil-5-O- dimethocsaitritile-5-meitilcítín-3′ -fosfaraimít;N4- Benzoyl- 2′ -O-meatocsaieitil-5′ -O-dimethocsaitritile-5-meitilcítín-3′ - amaidít
Spectra ar fáil
13 C NMR
Hetero NMR
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 171 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1250 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 47600 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 6.44×105 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 7.79×105 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.63×105 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 30800 | pH 10;Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 106 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 773 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 29500 | pH 3;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 3.99×105 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 8.02×105 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 8.70×105 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 8.16×105 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 4.83×105 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 1.01 x 105 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 19100 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | 4.48 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 5.34 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 6.92 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | 8.06 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 8.36 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 8.39 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 8.37 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 8.14 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 7. 46 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 6.73 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 1.4 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.16 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.1 x 10-3 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.0 x 10-4 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.5 x 10-4 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-4 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.5 x 10-4 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.5 x 10-4 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.2 x 10-3 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.3 x 10-3 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.5 x 10-4 g/L | Uisce Neamh-mhaolaithe pH 6.97;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.5 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.2 x 10-3 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 1.7 x 10-4 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.4 x 10-6 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.2 x 10-7 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-7 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-7 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-7 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.7 x 10-7 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-6 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.8 x 10-6 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 6.97;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 922. 01 | ||
| pKa | 8.59±0.40 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 22 | (1) ACD | |
| H Glacadóirí | 15 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 16 | (1) ACD | |
| logP | 8.401±0.723 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 922. 01 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 176 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
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