ChemSpider 2D Image | (1S,4R,5R,6S)-5,6-Bis(benzyloxy)-4-[(benzyloxy)methyl]-2-cyclohexen-1-yl benzoate | C35H34O5

(1S,4R,5R,6S)-5,6-Bis(benzyloxy)-4-[(benzyloxy)methyl]-2-cyclohexen-1-yl benzoate

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID9931620

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,5R,6S)-5,6-Bis(benzyloxy)-4-[(benzyloxy)methyl]-2-cyclohexen-1-yl benzoate [ACD/IUPAC Name]
(1S,4R,5R,6S)-5,6-Bis(benzyloxy)-4-[(benzyloxy)methyl]-2-cyclohexen-1-yl-benzoat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-ol, 5,6-bis(phenylmethoxy)-4-[(phenylmethoxy)methyl]-, benzoate, (1S,4R,5R,6S)- [ACD/Index Name]
Benzoate de (1S,4R,5R,6S)-5,6-bis(benzyloxy)-4-[(benzyloxy)méthyl]-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
(1S,4R,5R,6S)-5,6-bis(benzyloxy)-4-[(benzyloxy)methyl]cyclohex-2-en-1-yl benzoate
151693-61-7 [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: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 266.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 442852.72
ACD/KOC (pH 5.5): 382969.94
ACD/LogD (pH 7.4): 7.73
ACD/BCF (pH 7.4): 442852.72
ACD/KOC (pH 7.4): 382969.94
Polar Surface Area: 54 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 444.8±5.0 cm3

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