Basic information
- Name:
Cytidine, 2'-deoxy-,hydrochloride (1:1)
- Superlist Name:
- 2'-Deoxycytidine hydrochloride
- CAS No.:
3992-42-5
- Molecular Structure:
- Formula:
- C9H14ClN3O4
- Molecular Weight:
- 263.68
- Synonyms:
- Cytidine,2'-deoxy-, monohydrochloride (8CI,9CI);2'-Deoxycytidine monohydrochloride;Deoxycytidine hydrochloride;NSC 83251;
- EINECS:
- 223-639-9
- Melting Point:
- 168-170 °C
- Boiling Point:
- 497.6 °C at 760 mmHg
- Flash Point:
- 254.8 °C
- Appearance:
- White crystalline powder
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 22-24/25-37/39-36-26 Details
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Specification
The CAS register number of Cytidine, 2'-deoxy-,hydrochloride (1:1) is 3992-42-5. It also can be called as 2'-Deoxycytidine hydrochloride and the IUPAC name about this chemical is 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride. The molecular formula about this chemical is C9H13N3O4.HCl and the molecular weight is 263.68. It belongs to the following product categories which include Pyridines, Pyrimidines, Purines and Pteredines; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents and so on. It can be used for the synthesis of 3'- cytidine,5'-cytidine and 3',5'-cytidine diphosphate.
Physical properties about Cytidine, 2'-deoxy-,hydrochloride (1:1) are: (1)ACD/LogP: -1.88; (2)ACD/LogD (pH 5.5): -1.88; (3)ACD/LogD (pH 7.4): -1.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.24; (7)ACD/KOC (pH 7.4): 2.27; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 63.6Å2; (12)Flash Point: 254.8 °C; (13)Enthalpy of Vaporization: 88.18 kJ/mol; (14)Boiling Point: 497.6 °C at 760 mmHg; (15)Vapour Pressure: 5.47E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, please do not breathe dust and avoid contact with skin and eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H]([C@@H](O)C2)CO
(2)InChI: InChI=1/C9H13N3O4.ClH/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);1H/t5-,6+,8+;/m0./s1
(3)InChIKey: LTKCXZGFJFAPLY-OERIEOFYBN
(4)Std. InChI: InChI=1S/C9H13N3O4.ClH/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);1H/t5-,6+,8+;/m0./s1
(5)Std. InChIKey: LTKCXZGFJFAPLY-OERIEOFYSA-N