Isopropylidene-adenosine-5-N-methylcarbamide
4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
Also Known As: Isopropylidene-adenosine-5-N-methylcarbamide|2',3'-O-Isopropylidene-adenosine-5-N-methylcarbamide|6-(6-amino-9h-purin-9-yl)-n,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide(non-preferred 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|6-(6-amino-9h-purin-9-yl)-n,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide|(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-carboxamide|(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-N,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide|4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide|6-(6-Amino-9H-purin-9-yl)-N,2,2-trimethyltetrahydro-2H-furo[3,4-d][1,3]dioxole-4-carboxamide
| Molecular Formula | C14H18N6O4 |
|---|---|
| Molecular Weight | 334.13895 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.13895 |
| Monoisotopic Mass | 334.13895 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 39744-92-8 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC2C(=O)NC)N3C=NC4=C(N=CN=C43)N)C |
| InChIKey | DKBBHJATSCFNJQ-UHFFFAOYSA-N |
Product Overview
Isopropylidene-adenosine-5-N-methylcarbamide (CAS 39744-92-8), with molecular formula C14H18N6O4 and molecular weight 334.13895 g/mol. IUPAC: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide.