Adam CA

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

Also Known As: Adamantoylcytarabine|Adam CA|Adamotyl ara-C|Adamantoyl cytarabine|ADOCA|5'-Adamantoyl cytarabine|Aracytidine 5'-adamantoate|Cytosine, 5'-(1-adamantanecarboxylate)|NCI60_000421|[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate|1-beta-D-Arabinoofuranosylcytosine 5'-adamantoate|U 26516|1-.beta.-D-Arabinoofuranosylcytosine 5'-adamantoate|1-beta-D-Arabinoofuranosylcytosine 5'-adamantanecarboxylate|4-amino-1-[5-o-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)pentofuranosyl]pyrimidin-2(1h)-one|2(1H)-Pyrimidinone,7)]dec-1-ylcarbonyl)-.beta.-D-arabinofuranosyl]-|Cytosine, 1-.beta.-D-arabinofuranosyl-, 5'-(1-adamantanecarboxylate)|1-(4-Amino-1,2-dihydro-2-oxo-1-pyrimidinyl)-5-O-1-D-arabinofuranosyl 1-adamantancarboxylat|2(1H)-Pyrimidinone, 4-amino-1-[5-O-(tricyclo[3.3.1.1.(3,7)]dec-1-ylcarbonyl)-.beta.-D-arabinofuranosyl]-|4-Imino-1-[5-O-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)pentofuranosyl]-1,4-dihydropyrimidin-2-ol

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

Chemical Identifiers

CAS Number	23249-59-4
SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O
InChIKey	NMANUXYHRYVLDW-UHFFFAOYSA-N