RefChem:1050709
[6,9-dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate
Also Known As: FR 66979|3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5,8-dimethanol, 1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, alpha(8)-carbamate|[6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate|(7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate|[7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate|[7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazirino[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate|6,9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate|6.9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11172 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11172 |
| Monoisotopic Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 102409-60-9 |
|---|---|
| SMILES | C1C2C(N2)C3(C(C4=C(N1O3)C=C(C=C4O)CO)COC(=O)N)O |
| InChIKey | WUQJQATXUALTBZ-UHFFFAOYSA-N |
Product Overview
RefChem:1050709 (CAS 102409-60-9), with molecular formula C14H17N3O6 and molecular weight 323.11172 g/mol. IUPAC: [6,9-dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate.