![C33H35N3O8 Cítídín, N-aicéitil-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O- meitil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cítídín, N-aicéitil-5′-O-[bis(4-methocsaifheinile)feanilmeitil]-2′-O- meitil- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cítídín, N-aicéitil-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O- meitil- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 601.65 | - |
| Dlús (Tuartha) | 1.28±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 10.19±0.20 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
SMILES isiméireacha 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=C5
InchI
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(40-2) 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
Eochair InChI
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ainm Eile don tSubstaint seo
N-aicéitil-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O-meitilcítín (ACI)
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 8.87 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 27.8 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 171 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 515 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 650 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 668 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 668 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 657 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 560 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 229 | 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)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 48.6 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 152 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 935 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 2820 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 3560 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 3660 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 3660 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 3600 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 3070 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 1250 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 3. 43 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 3. 91 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4. 01 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4. 02 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4. 02 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4. 01 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 3. 94 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.021±0.768 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 1.3 x 10-3 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.10 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.032 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-3 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-3 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-3 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-3 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-3 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.6 x 10-3 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.9 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-3 g/L | Uisce Neamh-mhaolaithe pH 6.99; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 2.2 x 10-6 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.7 x 10-4 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.3 x 10-5 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.6 x 10-6 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-6 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-6 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.2 x 10-6 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.2 x 10-6 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.2 x 10-6 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.6 x 10-6 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.4 x 10-6 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 2.2 x 10-6 mol/L | Uisce Neamh-mhaolaithe pH 6.99; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 601.65 | ||
| pKa | 10.19±0.20 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.57±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)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.28±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 466.5±7.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 11 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 13 | (1) ACD | |
| logP | 4.021±0.768 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 601.65 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 128 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
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