ChemSpider 2D Image | mollenyne B | C26H33Br2ClN4O2

mollenyne B

  • Molecular FormulaC26H33Br2ClN4O2
  • Average mass628.827 Da
  • Monoisotopic mass626.065857 Da
  • ChemSpider ID35517632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3Z,5Z,7S,8S,9S,13E)-6,9-Dibrom-N-(5-carbamimidamidopentyl)-8-chlor-7-hydroxy-3,5,13-icosatrien-11,15,19-triinamid [German] [ACD/IUPAC Name]
(3Z,5Z,7S,8S,9S,13E)-6,9-Dibromo-N-(5-carbamimidamidopentyl)-8-chloro-7-hydroxy-3,5,13-icosatriene-11,15,19-triynamide [ACD/IUPAC Name]
(3Z,5Z,7S,8S,9S,13E)-6,9-Dibromo-N-(5-carbamimidamidopentyl)-8-chloro-7-hydroxy-3,5,13-icosatriène-11,15,19-triynamide [French] [ACD/IUPAC Name]
3,5,13-Eicosatriene-11,15,19-triynamide, N-[5-[(aminoiminomethyl)amino]pentyl]-6,9-dibromo-8-chloro-7-hydroxy-, (3Z,5Z,7S,8S,9S,13E)- [ACD/Index Name]
mollenyne B

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 153.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 18.68
ACD/KOC (pH 5.5): 76.43
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 18.71
ACD/KOC (pH 7.4): 76.53
Polar Surface Area: 111 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 481.8±7.0 cm3

Click to predict properties on the Chemicalize site


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