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| CAS No.: | 951-77-9 |
|---|---|
| Name: | 2'-Deoxycytidine monohydrate |
| Molecular Structure: | |
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| Formula: | C9H13N3O4 |
| Molecular Weight: | 227.22 |
| Synonyms: | Cytidine,deoxy- (6CI,7CI);1-(2-Deoxy-b-D-ribofuranosyl)cytosine;2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-;2'-Deoxycytidine;4-Amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone;Cytosine deoxyribonucleoside;Cytosine deoxyriboside;Deoxycytidine;Deoxyribose cytidine; |
| EINECS: | 213-454-1 |
| Density: | 1.733 g/cm3 |
| Melting Point: | 209-211 °C(lit.) |
| Boiling Point: | 497.625 °C at 760 mmHg |
| Flash Point: | 254.754 °C |
| Solubility: | water: 50 mg/mL, clear, colorless |
| Appearance: | white crystalline powder |
| Safety: | 24/25 |
| PSA: | 119.83000 |
| LogP: | -1.01690 |
4-N-picolyl-2'-deoxycytidine
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With ammonia In water at 20℃; for 0.5h; | 100% |
| Conditions | Yield |
|---|---|
| With Amberlite A-26 (OH- form) In water for 0.5h; Ambient temperature; | 99% |
| Multi-step reaction with 4 steps 1: pyridine 2: pyridine / 20 °C 3: 237 mg / water / methanol / 0.5 h 4: acetic acid / dioxane; H2O / 0.67 h / 20 °C / UV-irradiation View Scheme | |
| Multi-step reaction with 4 steps 1: pyridine 2: pyridine / 20 °C 3: 325 mg / water / methanol / 0.5 h 4: acetic acid / dioxane; H2O / 0.33 h / 20 °C / UV-irradiation View Scheme | |
| With triethylamine In methanol pH=7; |
4-O-(2,4,6-Trimethylphenyl)-2'-deoxyuridine
A
2'-deoxyuridine
B
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 65℃; for 2h; | A n/a B 98% |
4-methylamino-1-(β-D-2-deoxyribofuranosyl)pyrimidin-2(1H)-one
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; C17H20N4O9P(1-)*Na(1+); oxygen In water; acetonitrile at 20℃; under 760.051 Torr; for 7h; Irradiation; chemoselective reaction; | 95% |
3',5'-di-O-acetyl-2'-deoxycytidine
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With ammonia at 25℃; | 93% |
| With ammonia In methanol at 25℃; for 24h; Yield given; |
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With ammonium cerium(IV) nitrate; silica gel In dichloromethane at 25℃; for 2h; detritylation; | 90% |
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In aq. phosphate buffer; dimethyl sulfoxide at 20℃; for 0.333333h; pH=7.2; | 88% |
6-(2-Deoxy-β-D-ribosyl)tetrazolo<1,5-c>pyrimidine-5(6H)-one
2'-Deoxycytidine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol for 50h; | 86% |
| Conditions | Yield |
|---|---|
| In methanol | 84.6% |
| Conditions | Yield |
|---|---|
| With ethylenediamine at 40℃; for 20h; | 67% |
| With ethylenediamine; phenol at 40℃; for 20h; debenzoylation; | 67% |
| With sodium hydroxide In methanol; water for 0.0333333h; microwave irradiation; |
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The Deoxycytidine, with the CAS registry number 951-77-9, has the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one. And the molecular formula of the chemical is C9H13N3O4. It is a deoxyribonucleoside. And it is like cytidine, but with one oxygen atom removed. What's more, while dealing with this chemical, you should to avoid contacting with skin and eyes.
The physical properties of Deoxycytidine are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.543; (5)ACD/KOC (pH 7.4): 3.702; (6)#H bond acceptors: 7; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 108.38 Å2; (10)Index of Refraction: 1.72; (11)Molar Refractivity: 51.791 cm3; (12)Molar Volume: 131.129 cm3; (13)Polarizability: 20.532×10-24cm3; (14)Surface Tension: 77.813 dyne/cm; (15)Density: 1.733 g/cm3; (16)Flash Point: 254.754 °C; (17)Enthalpy of Vaporization: 88.181 kJ/mol; (18)Boiling Point: 497.625 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)O
(2)InChI: InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
(3)InChIKey: CKTSBUTUHBMZGZ-SHYZEUOFBO
