CAS No.13085-50-2,2'-Deoxycytidine-5'-monophosphate disodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13085-50-2
Name:	2'-Deoxycytidine-5'-monophosphate disodium salt

Formula:	C₉H₁₂N₃Na₂O₇P
Molecular Weight:	351.16
Synonyms:	Cytidine,2'-deoxy-, 5'-(dihydrogen phosphate), disodium salt (8CI);Cytidine, 2'-deoxy-,5'-phosphate, disodium salt (7CI);
EINECS:	235-995-2
Melting Point:	179-180C
Boiling Point:	633.8oC at 760mmHg
Flash Point:	337.1oC
Solubility:	Soluble in 200 mg plus 4 mL water.
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36-37/39
PSA:	172.60000
LogP:	0.04080

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Specification

The 2'-Deoxycytidine-5'-monophosphate disodium salt, with the CAS registry number 13085-50-2, is also known as 2-Deoxycytidine-5-(disodium phosphate) and Deoxycytidylic acid sodium salt. The EINECS registry number of 2'-Deoxycytidine-5'-monophosphate disodium salt is 235-995-2. This chemical's molecular formula is C₉H₁₂N₃Na₂O₇P and molecular weight is 351.16. What's more, its IUPAC name is disodium [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate. And its systematic name is called [[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-sodiooxy-phosphoryl]oxysodium.

Physical properties about this chemical are: (1) #H bond acceptors: 10; (2) #H bond donors: 3; (3) #Freely Rotating Bonds: 9; (4) Polar Surface Area: 142.72 Å²; (5) Melting Point: 179-180 °C

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and cause inflammation to the skin or other mucous membranes if inhalation, in contact with skin and swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])[O-])O.[Na+].[Na+]
(2) InChI: InChI=1S/C9H14N3O7P.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2
(3) InChIKey: IJFRULGDDRUYQN-UHFFFAOYSA-L