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951-77-9

Basic Information
CAS No.: 951-77-9
Name: 2'-Deoxycytidine monohydrate
Article Data: 69
Molecular Structure:
Molecular Structure of 951-77-9 (2'-Deoxycytidine monohydrate)
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
Synthetic route
78983-36-5

4-N-picolyl-2'-deoxycytidine

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With ammonia In water at 20℃; for 0.5h;100%
3992-42-5

2'-deoxycytidine monohydrochloride

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
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;
130197-82-9

4-O-(2,4,6-Trimethylphenyl)-2'-deoxyuridine

A

951-78-0

2'-deoxyuridine

B

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With ammonium hydroxide at 65℃; for 2h;A n/a
B 98%
22882-02-6

4-methylamino-1-(β-D-2-deoxyribofuranosyl)pyrimidin-2(1H)-one

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With manganese(IV) oxide; C17H20N4O9P(1-)*Na(1+); oxygen In water; acetonitrile at 20℃; under 760.051 Torr; for 7h; Irradiation; chemoselective reaction;95%
65919-98-4

3',5'-di-O-acetyl-2'-deoxycytidine

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With ammonia at 25℃;93%
With ammonia In methanol at 25℃; for 24h; Yield given;

N4-5'-O-di(triphenylmethyl)-2'-deoxycytidine

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate; silica gel In dichloromethane at 25℃; for 2h; detritylation;90%

C23H30BN3O8

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With dihydrogen peroxide In aq. phosphate buffer; dimethyl sulfoxide at 20℃; for 0.333333h; pH=7.2;88%
108584-99-2

6-(2-Deoxy-β-D-ribosyl)tetrazolo<1,5-c>pyrimidine-5(6H)-one

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 50h;86%
380887-00-3

2'-deoxy-4-N-acetylcytidine

7664-41-7

ammonia

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
In methanol84.6%
4836-13-9

N4-benzoyl-2'-deoxycytidine

951-77-9

2'-Deoxycytidine

Conditions
ConditionsYield
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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    2'-Deoxycytidine monohydrate Basic information Product Name: 2'-Deoxycytidine monohydrate Synonyms: 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-;2'-DEOXYCYTIDINE FREE BASE;4-amino-1-[4-hydroxy-5-(hydroxymet

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Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Specification

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