Compound C9H15N2O14P3 structure

Compound C9H15N2O14P3

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

CAS: 1173-82-6
Molecular Formula C9H15N2O14P3
Molecular Weight 468.14 g/mol
LogP -5.5
Topological Polar Surface Area 239.0 A2
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
Rotatable Bonds 8
Exact Mass 467.9736
Heavy Atoms 28
Complexity 808.0

Chemical Identifiers

CAS Number 1173-82-6
SMILES C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChIKey AHCYMLUZIRLXAA-SHYZEUOFSA-N

📖 Product Overview

Compound C9H15N2O14P3 (CAS: 1173-82-6) is a chemical compound with molecular formula C9H15N2O14P3 and molecular weight 468.14 g/mol. Its IUPAC systematic name is [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate. LogP -5.5 Topological Polar Surface Area 239.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 8 Exact Mass 467.9736 Heavy Atoms 28 Complexity 808.0 InChI Key: AHCYMLUZIRLXAA-SHYZEUOFSA-N. SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.

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