[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

CAS: 26966-61-0

Molecular Formula	`C20H27N7O13P2`
Molecular Weight	635.4 g/mol
LogP	-4.2
Topological Polar Surface Area	280.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	17
Rotatable Bonds	10
Exact Mass	635.1142
Heavy Atoms	42
Complexity	1180.0

Chemical Identifiers

CAS Number	26966-61-0
SMILES	`CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)O`
InChIKey	`YRITVODHCMDVSY-BBZRCZKMSA-N`

📖 Product Overview

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate (CAS: 26966-61-0) is a chemical compound with molecular formula C20H27N7O13P2 and molecular weight 635.4 g/mol. Its IUPAC systematic name is [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate. LogP -4.2 Topological Polar Surface Area 280.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 17 Rotatable Bonds 10 Exact Mass 635.1142 Heavy Atoms 42 Complexity 1180.0 InChI Key: YRITVODHCMDVSY-BBZRCZKMSA-N. SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate.

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