Found 39 results

Search term: MF = 'C_{41}H_{32}O_{11}'
ChemSpider 2D Image | (1R,2S,4R,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentabenzoate | C41H32O11

(1R,2S,4R,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentabenzoate

  • Molecular FormulaC41H32O11
  • Average mass700.686 Da
  • Monoisotopic mass700.194458 Da
  • ChemSpider ID10009384

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,4R,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentabenzoate [ACD/IUPAC Name]
(1R,2S,4R,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanpentayl-pentabenzoat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4,5-pentabenzoate, (1R,2S,4R,5S)- [ACD/Index Name]
Pentabenzoate de (1R,2S,4R,5S)-6-hydroxy-1,2,3,4,5-cyclohexanepentayle [French] [ACD/IUPAC Name]
BHMFLHFLQRSOPC-VUQULUAXSA-N

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

AE-484/37387010 [DBID]
ZINC08385149 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 246.3±27.8 °C
Index of Refraction: 1.662
Molar Refractivity: 185.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 9.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2488381.25
ACD/LogD (pH 7.4): 9.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2488304.75
Polar Surface Area: 152 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 500.6±5.0 cm3

Click to predict properties on the Chemicalize site


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