Adamantoyl cytarabine

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate

CAS: 23113-01-1

Molecular Formula	`C20H27N3O6`
Molecular Weight	405.4 g/mol
LogP	0.8
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	405.18997
Heavy Atoms	29
Complexity	739.0

Chemical Identifiers

CAS Number	23113-01-1
SMILES	`C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O`
InChIKey	`NMANUXYHRYVLDW-UITAOGKOSA-N`

📖 Product Overview

Adamantoyl cytarabine (CAS: 23113-01-1) is a chemical compound with molecular formula C20H27N3O6 and molecular weight 405.4 g/mol. Its IUPAC systematic name is [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate. LogP 0.8 Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 405.18997 Heavy Atoms 29 Complexity 739.0 InChI Key: NMANUXYHRYVLDW-UITAOGKOSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)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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