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4-Amino-1-(2-Deoxy-3-O-Phosphonopentofuranosyl)-2(1H)-Pyrimidinone Ammoniate (1:1)
[CAS# 102783-50-6]

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Identification
Name 4-Amino-1-(2-Deoxy-3-O-Phosphonopentofuranosyl)-2(1H)-Pyrimidinone Ammoniate (1:1)
Synonyms 2′-Deoxycytidine 3′-monophosphate ammonium salt; 2'-Deoxycytidine 3'-monophosphate ammonium salt; D6897_SIGMA
Molecular Structure CAS#: 102783-50-6, 4-Amino-1-(2-Deoxy-3-O-Phosphonopentofuranosyl)-2(1H)-Pyrimidinone Ammoniate (1:1)
Molecular Formula C9H17N4O7P
Molecular Weight 324.23
CAS Registry Number 102783-50-6
SMILES O=C1/N=C(/N)\C=C/N1C2OC(C(OP(=O)(O)O)C2)CO.N
InChI 1S/C9H14N3O7P.H3N/c10-7-1-2-12(9(14)11-7)8-3-5(6(4-13)18-8)19-20(15,16)17;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);1H3
InChIKey VCTPYSBTEURORB-UHFFFAOYSA-N
Properties
Boiling point 649.6°C at 760 mmHg (Cal.)
Flash point 346.7°C (Cal.)
Refractive index (Cal.)
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