Found 62 results

Search term: MF = 'C_{35}H_{52}O_{5}'
ChemSpider 2D Image | Methyl (5R,9S,12R,13R)-10,13-bis(benzyloxy)-2-hydroxy-12-isopropyl-5,9-dimethylcyclotetradecanecarboxylate | C35H52O5

Methyl (5R,9S,12R,13R)-10,13-bis(benzyloxy)-2-hydroxy-12-isopropyl-5,9-dimethylcyclotetradecanecarboxylate

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID9470825

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(5R,9S,12R,13R)-10,13-Bis(benzyloxy)-2-hydroxy-12-isopropyl-5,9-diméthylcyclotétradécanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclotetradecanecarboxylic acid, 2-hydroxy-5,9-dimethyl-12-(1-methylethyl)-10,13-bis(phenylmethoxy)-, methyl ester, (5R,9S,12R,13R)- [ACD/Index Name]
Methyl (5R,9S,12R,13R)-10,13-bis(benzyloxy)-2-hydroxy-12-isopropyl-5,9-dimethylcyclotetradecanecarboxylate [ACD/IUPAC Name]
Methyl-(5R,9S,12R,13R)-10,13-bis(benzyloxy)-2-hydroxy-12-isopropyl-5,9-dimethylcyclotetradecancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 186.8±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 8.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1063631.25
ACD/LogD (pH 7.4): 8.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1063631.25
Polar Surface Area: 65 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 521.6±5.0 cm3

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