CYTIDINE, CYCLIC 3',5'-(HYDROGEN PHOSPHATE), MONOSODIUM SALT

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WCPTXJJVVDAEMW-XVFCMESISA-N
Smiles NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H]3CO[P](O)(=O)O[C@H]3[C@H]2O
InChI
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12N3O7P1
Molecular Weight 305.04
AlogP -1.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 147.12
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 54925-33-6
NORMAN SUSDAT
CONTENTS