ChemSpider 2D Image | usabamycin A | C16H20N2O2

usabamycin A

  • Molecular FormulaC16H20N2O2
  • Average mass272.342 Da
  • Monoisotopic mass272.152466 Da
  • ChemSpider ID27025748

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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(2E,11aS)-9-Methoxy-2-propyliden-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-on [German] [ACD/IUPAC Name]
(2E,11aS)-9-Methoxy-2-propylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one [ACD/IUPAC Name]
(2E,11aS)-9-Méthoxy-2-propylidène-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazépin-5-one [French] [ACD/IUPAC Name]
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-9-methoxy-2-propylidene-, (2E,11aS)- [ACD/Index Name]
usabamycin A
E'CHEMBL1922537'
usabamycin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.95
ACD/KOC (pH 5.5): 979.59
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.05
ACD/KOC (pH 7.4): 980.58
Polar Surface Area: 42 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 226.8±5.0 cm3

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