Compound C9H16N3O13P3

[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

CAS: 2056-98-6

Molecular Formula	`C9H16N3O13P3`
Molecular Weight	467.16 g/mol
LogP	-5.6
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	466.9896
Heavy Atoms	28
Complexity	823.0

Chemical Identifiers

CAS Number	2056-98-6
SMILES	`C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O`
InChIKey	`RGWHQCVHVJXOKC-SHYZEUOFSA-N`

📖 Product Overview

Compound C9H16N3O13P3 (CAS: 2056-98-6) is a chemical compound with molecular formula C9H16N3O13P3 and molecular weight 467.16 g/mol. Its IUPAC systematic name is [[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate. LogP -5.6 Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 13 Rotatable Bonds 8 Exact Mass 466.9896 Heavy Atoms 28 Complexity 823.0 InChI Key: RGWHQCVHVJXOKC-SHYZEUOFSA-N. SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.

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