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2'-Deoxycytidine hydrochloride

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Name

2'-Deoxycytidine hydrochloride

EINECS 223-639-9
CAS No. 3992-42-5 Density N/A
PSA 110.60000 LogP -0.15060
Solubility almost transparency in Water Melting Point 168-170 °C
Formula C9H14ClN3O4 Boiling Point 497.6 °C at 760 mmHg
Molecular Weight 263.681 Flash Point 254.8 °C
Transport Information N/A Appearance White crystalline powder
Safety 22-24/25-37/39-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 3992-42-5 (2'-Deoxycytidine hydrochloride) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Cytidine,2'-deoxy-, monohydrochloride (8CI,9CI);2'-Deoxycytidine monohydrochloride;Deoxycytidine hydrochloride;NSC 83251;

 

2'-Deoxycytidine hydrochloride 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

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