ChemSpider 2D Image | Streptorubin B | C25H33N3O

Streptorubin B

  • Molecular FormulaC25H33N3O
  • Average mass391.549 Da
  • Monoisotopic mass391.262360 Da
  • ChemSpider ID19025907
  • 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

(2S)-2-Butyl-11-[(Z)-(4'-methoxy-1H,5'H-2,2'-bipyrrol-5'-yliden)methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-dien [German] [ACD/IUPAC Name]
(2S)-2-Butyl-11-[(Z)-(4'-methoxy-1H,5'H-2,2'-bipyrrol-5'-ylidene)methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene [ACD/IUPAC Name]
(2S)-2-Butyl-11-[(Z)-(4'-méthoxy-1H,5'H-2,2'-bipyrrol-5'-ylidène)méthyl]-10-azabicyclo[7.2.1]dodéca-1(11),9(12)-diène [French] [ACD/IUPAC Name]
10-Azabicyclo[7.2.1]dodeca-9(12),11-diene, 2-butyl-11-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-, (2S)- [ACD/Index Name]
Streptorubin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 612.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 324.3±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 946.43
ACD/KOC (pH 5.5): 1612.64
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 21310.50
ACD/KOC (pH 7.4): 36311.07
Polar Surface Area: 53 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 339.6±7.0 cm3

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