Basic information
- CAS
102409-60-9- Standard SMILES
NC(=O)OCC1c2c(O)cc(CO)cc2N2CC3NC3C1(O)O2- InChIKey
WUQJQATXUALTBZ-UHFFFAOYSA-N- Molecular formula
- C14H17N3O6
- Average molar mass
- 323.3 g/mol
Names & identifiers
- Preferred name
- (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
- 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
Names & synonyms
DTXSID40907483(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 carbonimidateRefChem:1050709DTXCID801336573102409-60-93,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5,8-dimethanol, 1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, alpha(8)-carbamateWUQJQATXUALTBZ-UHFFFAOYSA-N[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-epoxyazirino[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate6,9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate6.9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate
Database identifiers
- CAS
102409-60-9- PubChem CID
- 124136
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Related reactions
9 records
Compound notes
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