ChemSpider 2D Image | (1S,4R,5R,6S,7R)-5,6,7-Tris(benzyloxy)-4-hydroxy-2-cyclohepten-1-yl methanesulfonate | C29H32O7S

(1S,4R,5R,6S,7R)-5,6,7-Tris(benzyloxy)-4-hydroxy-2-cyclohepten-1-yl methanesulfonate

  • Molecular FormulaC29H32O7S
  • Average mass524.625 Da
  • Monoisotopic mass524.186890 Da
  • ChemSpider ID9061145

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4R,5R,6S,7R)-5,6,7-Tris(benzyloxy)-4-hydroxy-2-cyclohepten-1-yl methanesulfonate [ACD/IUPAC Name]
(1S,4R,5R,6S,7R)-5,6,7-Tris(benzyloxy)-4-hydroxy-2-cyclohepten-1-yl-methansulfonat [German] [ACD/IUPAC Name]
2-Cycloheptene-1,4-diol, 5,6,7-tris(phenylmethoxy)-, monomethanesulfonate, (1S,4R,5R,6S,7R)- [ACD/Index Name]
Méthanesulfonate de (1S,4R,5R,6S,7R)-5,6,7-tris(benzyloxy)-4-hydroxy-2-cycloheptén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5410.44
ACD/KOC (pH 5.5): 16362.14
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5410.42
ACD/KOC (pH 7.4): 16362.10
Polar Surface Area: 100 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 406.5±5.0 cm3

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