2'-Deoxycytidine-5'-monophosphoric acid

CAS	1032-65-1
Structure
Synonyms	[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid
IUPAC Name	[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular Weight	307.2
Molecular Formula	C9H14N3O7P
Canonical SMILES	C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
InChI	InChI=1S/C9H14N3O7P/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)/t5-,6+,8+/m0/s1
InChI Key	NCMVOABPESMRCP-SHYZEUOFSA-N
Boiling Point	633.8±65.0 °C
Melting Point	169-172 °C (dec.)
Purity	98%
Density	2.01±0.1 g/ml
Refractive Index	37 ° (C=1, H₂O)
pKa	1.86±0.10
Solubility in Water	Soluble
Appearance	White powder