[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

CAS: 3731-55-3

Molecular Formula	`C9H14IN2O14P3`
Molecular Weight	594.04 g/mol
LogP	-4.8
Topological Polar Surface Area	239.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	593.87024
Heavy Atoms	29
Complexity	857.0

Chemical Identifiers

CAS Number	3731-55-3
SMILES	`C1C(C(OC1N2C=C(C(=O)NC2=O)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O`
InChIKey	`ZWDWDTXYXXJLJB-RRKCRQDMSA-N`

📖 Product Overview

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (CAS: 3731-55-3) is a chemical compound with molecular formula C9H14IN2O14P3 and molecular weight 594.04 g/mol. Its IUPAC systematic name is [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate. LogP -4.8 Topological Polar Surface Area 239.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 8 Exact Mass 593.87024 Heavy Atoms 29 Complexity 857.0 InChI Key: ZWDWDTXYXXJLJB-RRKCRQDMSA-N. SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)I)COP(=O)(O)OP(=O)(O)OP(=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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.

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