DTXSID00861597

[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

CAS: 21931-53-3

Molecular Formula	`C9H14N2O12P2`
Molecular Weight	404.16 g/mol
LogP	-4.7
Topological Polar Surface Area	212.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	404.0022
Heavy Atoms	25
Complexity	675.0

Chemical Identifiers

CAS Number	21931-53-3
SMILES	`C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O`
InChIKey	`XCCTYIAWTASOJW-UHFFFAOYSA-N`

📖 Product Overview

DTXSID00861597 (CAS: 21931-53-3) is a chemical compound with molecular formula C9H14N2O12P2 and molecular weight 404.16 g/mol. Its IUPAC systematic name is [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate. LogP -4.7 Topological Polar Surface Area 212.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 6 Exact Mass 404.0022 Heavy Atoms 25 Complexity 675.0 InChI Key: XCCTYIAWTASOJW-UHFFFAOYSA-N. SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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