ChemSpider 2D Image | (1aS,8bS)-6-Amino-8a-hydroxy-1,5-dimethyl-8-methylene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione | C14H15N3O3

(1aS,8bS)-6-Amino-8a-hydroxy-1,5-dimethyl-8-methylene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione

  • Molecular FormulaC14H15N3O3
  • Average mass273.287 Da
  • Monoisotopic mass273.111328 Da
  • ChemSpider ID58817496

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1aS,8bS)-6-Amino-8a-hydroxy-1,5-dimethyl-8-methylen-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-4,7-dion [German] [ACD/IUPAC Name]
(1aS,8bS)-6-Amino-8a-hydroxy-1,5-dimethyl-8-methylene-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione [ACD/IUPAC Name]
(1aS,8bS)-6-Amino-8a-hydroxy-1,5-diméthyl-8-méthylène-1,1a,2,8,8a,8b-hexahydroaziréno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione [French] [ACD/IUPAC Name]
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-8-methylene-, (1aS,8bS)- [ACD/Index Name]
74148-47-3 [RN]
7-Amino-10-decarbamoyloxy-9-dehydro-7-demethoxymitomycin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.733
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 43.61
Polar Surface Area: 87 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 175.5±5.0 cm3

Click to predict properties on the Chemicalize site


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