ChemSpider 2D Image | CSID:10307498 | C61H86O19

  • Molecular FormulaC61H86O19
  • Average mass1123.324 Da
  • Monoisotopic mass1122.576294 Da
  • ChemSpider ID10307498
  • defined stereocentres - 30 of 33 defined stereocentres


More details:






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

101383-39-5 [RN]
homohalichondrin B

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 281.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55940.08
ACD/KOC (pH 5.5): 87096.75
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55940.02
ACD/KOC (pH 7.4): 87096.66
Polar Surface Area: 205 Å2
Polarizability: 111.5±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 809.3±5.0 cm3

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