ChemSpider 2D Image | mollenyne D | C26H32BrClN4O2

mollenyne D

  • Molecular FormulaC26H32BrClN4O2
  • Average mass547.915 Da
  • Monoisotopic mass546.139709 Da
  • ChemSpider ID35517634

  • 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

(3Z,5Z,7S,8Z,13E)-6-Brom-N-(5-carbamimidamidopentyl)-8-chlor-7-hydroxy-3,5,8,13-icosatetraen-11,15,19-triinamid [German] [ACD/IUPAC Name]
(3Z,5Z,7S,8Z,13E)-6-Bromo-N-(5-carbamimidamidopentyl)-8-chloro-7-hydroxy-3,5,8,13-icosatetraene-11,15,19-triynamide [ACD/IUPAC Name]
(3Z,5Z,7S,8Z,13E)-6-Bromo-N-(5-carbamimidamidopentyl)-8-chloro-7-hydroxy-3,5,8,13-icosatétraène-11,15,19-triynamide [French] [ACD/IUPAC Name]
3,5,8,13-Eicosatetraene-11,15,19-triynamide, N-[5-[(aminoiminomethyl)amino]pentyl]-6-bromo-8-chloro-7-hydroxy-, (3Z,5Z,7S,8Z,13E)- [ACD/Index Name]
mollenyne D

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 24.68
ACD/KOC (pH 5.5): 93.29
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 24.71
ACD/KOC (pH 7.4): 93.42
Polar Surface Area: 111 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 469.3±7.0 cm3

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