Isopropylidene-adenosine-5-N-methylcarbamide
Basic information
- CAS
39491-51-5- Standard SMILES
CNC(=O)C1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12- InChIKey
DKBBHJATSCFNJQ-UHFFFAOYSA-N- Molecular formula
- C14H18N6O4
- Average molar mass
- 334.33 g/mol
- Monoisotopic mass
- 334.13895308
Names & identifiers
- Preferred name
- Isopropylidene-adenosine-5-N-methylcarbamide
- IUPAC
- 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
- English name
- (3aR,4S,6aS)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid methylamide
- Molecular formula
- C14H18N6O4
- Molecular weight
- 334.33
Names & synonyms
39491-51-5(3aR,4S,6aS)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid methylamide2',3'-O-Isopropylidene-adenosine-5-N-methylcarbamideNSC145886Isopropylidene-adenosine-5-N-methylcarbamideDTXSID80301688(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-N,2,2-trimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxole-4-carboxamideNSC-145886NI1669586-(6-amino-9h-purin-9-yl)-n,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide6-(6-Amino-9H-purin-9-yl)-N,2,2-trimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole-4-carboxamide5'-N-methyl-2',3'-O-isopropylidenecarboxamidoadenosine
Show more names
β-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-methyl-2,3-O-(1-methylethylidene)-
Database identifiers
- CAS
39491-51-5- PubChem CID
- 286740
- DTXSID
DTXSID80301688
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.60(Predicted)
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Compound notes
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