1-(2-DEOXY-BETA-L-ERYTHROPENTAFURANOSYL)-5-METHYL-2,4(1H)-PYRIMIDINONE

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

Structure

InChI Key CKTSBUTUHBMZGZ-CHKWXVPMSA-N
Smiles NC1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO)O2
InChI
InChI=1S/C9H13N3O4/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)/t5-,6+,8+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O4
Molecular Weight 227.09
AlogP -1.29
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 111.59
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 40093-94-5
NORMAN SUSDAT
CONTENTS