CAS No.951-77-9,2'-Deoxycytidine monohydrate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	951-77-9
Name:	2'-Deoxycytidine monohydrate
Article Data:	69

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

Conditions	Yield
With ammonia In water at 20℃; for 0.5h;	100%

: 3992-42-5
2'-deoxycytidine monohydrochloride

: 951-77-9
2'-Deoxycytidine

Conditions

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;

: 130197-82-9
4-O-(2,4,6-Trimethylphenyl)-2'-deoxyuridine

A: 951-78-0
2'-deoxyuridine

B: 951-77-9
2'-Deoxycytidine

Conditions

Conditions	Yield
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

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%

: 65919-98-4
3',5'-di-O-acetyl-2'-deoxycytidine

: 951-77-9
2'-Deoxycytidine

Conditions

Conditions	Yield
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

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

: C23H30BN3O8

: 951-77-9
2'-Deoxycytidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In methanol	84.6%

: 4836-13-9
N4-benzoyl-2'-deoxycytidine

: 951-77-9
2'-Deoxycytidine

Conditions

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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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

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