ChemSpider 2D Image | (3Z,8S,10R)-8,10,14,18,22,26,30,34,38-Nonahydroxy-4-methyl-40-(2-methyl-2-propanyl)oxacyclotetracont-3-en-2-one | C44H84O11

(3Z,8S,10R)-8,10,14,18,22,26,30,34,38-Nonahydroxy-4-methyl-40-(2-methyl-2-propanyl)oxacyclotetracont-3-en-2-one

  • Molecular FormulaC44H84O11
  • Average mass789.131 Da
  • Monoisotopic mass788.601379 Da
  • ChemSpider ID40256541

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(3Z,8S,10R)-8,10,14,18,22,26,30,34,38-Nonahydroxy-4-methyl-40-(2-methyl-2-propanyl)oxacyclotetracont-3-en-2-on [German] [ACD/IUPAC Name]
(3Z,8S,10R)-8,10,14,18,22,26,30,34,38-Nonahydroxy-4-methyl-40-(2-methyl-2-propanyl)oxacyclotetracont-3-en-2-one [ACD/IUPAC Name]
(3Z,8S,10R)-8,10,14,18,22,26,30,34,38-Nonahydroxy-4-méthyl-40-(2-méthyl-2-propanyl)oxacyclotétracont-3-én-2-one [French] [ACD/IUPAC Name]
Oxacyclotetracont-3-en-2-one, 40-(1,1-dimethylethyl)-8,10,14,18,22,26,30,34,38-nonahydroxy-4-methyl-, (3Z,8S,10R)- [ACD/Index 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: 951.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.0±6.0 kJ/mol
Flash Point: 270.3±27.8 °C
Index of Refraction: 1.496
Molar Refractivity: 218.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 908.07
ACD/KOC (pH 5.5): 4557.69
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 908.07
ACD/KOC (pH 7.4): 4557.69
Polar Surface Area: 208 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 747.5±3.0 cm3

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