ChemSpider 2D Image | CSID:21430903 | C42H42N28O14

  • Molecular FormulaC42H42N28O14
  • Average mass1162.962 Da
  • Monoisotopic mass1162.343506 Da
  • ChemSpider ID21430903
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

259886-50-5 [RN]
CB[7]
cucurbit[7]uril
Cucurbit[7]uril hydrate

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.366
Molar Refractivity: 261.6±0.4 cm3
#H bond acceptors: 42
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 714.14
ACD/KOC (pH 5.5): 3837.63
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 714.14
ACD/KOC (pH 7.4): 3837.63
Polar Surface Area: 330 Å2
Polarizability: 103.7±0.5 10-24cm3
Surface Tension: 332.0±5.0 dyne/cm
Molar Volume: 432.3±5.0 cm3

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