THYMIDINE 5'-DIPHOSPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QQ3K1P45DF

Structure

InChI Key UJLXYODCHAELLY-XLPZGREQSA-N
Smiles O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(O)O)O)n1cc(C)c(nc1=O)O
InChI
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O11P2
Molecular Weight 402.02
AlogP -0.87
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 197.87
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 491-97-4
NORMAN SUSDAT
FDA SRS QQ3K1P45DF
PubChem 164628
ChemSpider 1092.0
CONTENTS