ChemSpider 2D Image | (1S,2R,3S,4R,5R,6S)-3-(Allyloxy)-4,5,6-tris(benzyloxy)-2-[(4-methoxybenzyl)oxy]cyclohexanol | C38H42O7

(1S,2R,3S,4R,5R,6S)-3-(Allyloxy)-4,5,6-tris(benzyloxy)-2-[(4-methoxybenzyl)oxy]cyclohexanol

  • Molecular FormulaC38H42O7
  • Average mass610.736 Da
  • Monoisotopic mass610.293030 Da
  • ChemSpider ID9933140

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3S,4R,5R,6S)-3-(Allyloxy)-4,5,6-tris(benzyloxy)-2-[(4-methoxybenzyl)oxy]cyclohexanol [ACD/IUPAC Name]
(1S,2R,3S,4R,5R,6S)-3-(Allyloxy)-4,5,6-tris(benzyloxy)-2-[(4-methoxybenzyl)oxy]cyclohexanol [German] [ACD/IUPAC Name]
(1S,2R,3S,4R,5R,6S)-3-(Allyloxy)-4,5,6-tris(benzyloxy)-2-[(4-méthoxybenzyl)oxy]cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-(2-propen-1-yloxy)-, (1S,2R,3S,4R,5R,6S)- [ACD/Index Name]
(1S,2S,3R,4R,5S,6R)-2,3,4-tris(benzyloxy)-6-[(4-methoxyphenyl)methoxy]-5-(prop-2-en-1-yloxy)cyclohexan-1-ol
154372-20-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.82
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 528047.44
ACD/KOC (pH 5.5): 434370.47
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 528046.25
ACD/KOC (pH 7.4): 434369.53
Polar Surface Area: 76 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 507.9±5.0 cm3

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