ChemSpider 2D Image | usabamycin B | C15H18N2O2

usabamycin B

  • Molecular FormulaC15H18N2O2
  • Average mass258.316 Da
  • Monoisotopic mass258.136841 Da
  • ChemSpider ID27025749

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,11aS)-2-Ethyliden-9-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-on [German] [ACD/IUPAC Name]
(2E,11aS)-2-Ethylidene-9-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one [ACD/IUPAC Name]
(2E,11aS)-2-Éthylidène-9-méthoxy-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, 2-ethylidene-1,2,3,10,11,11a-hexahydro-9-methoxy-, (2E,11aS)- [ACD/Index Name]
usabamycin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.90
ACD/KOC (pH 5.5): 442.48
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.94
ACD/KOC (pH 7.4): 442.91
Polar Surface Area: 42 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 210.5±5.0 cm3

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