1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methyl-beta-D-ribofuranuronamide

HCID 98567

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Basic information

CAS: 35788-27-3
Standard SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey: PLYRYAHDNXANEG-QMWPFBOUSA-N
Molecular formula: C11H14N6O4
Average molar mass: 294.27 g/mol
Monoisotopic mass: 294.10765295

Overview

RN given refers to (beta-D)-isomer

Names & identifiers

Preferred name: 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methyl-beta-D-ribofuranuronamide
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide

Names & synonyms

35788-27-35'-N-MethylcarboxamideadenosineMECADTXSID101168111RefChem:907418DTXCID2015995351-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methyl-beta-D-ribofuranuronamide5'-N-methylcarboxamidoadenosine(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamideCHEMBL519809(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide

Show more names

(2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-methyl-3,4-dihydroxy-oxolane-2-carboxamide(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamideNSC 148458Adenosine-5'-(N-methyl)carboxamide hemihydrate1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methylribofuranuronamide hemihydrateSCHEMBL10001413BDBM50407975PDSP1_001000

Database identifiers

CAS: 35788-27-3
PubChem CID: 98567
DTXSID: DTXSID101168111

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 148 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 412

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