ChemSpider 2D Image | (1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0~1,18~.0~4,17~.0~5,14~.0~8,13~]tetracosane-11-carboxylic acid | C30H48O4

(1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID24700857

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosan-11-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid [ACD/IUPAC Name]
5H-3,5a-Methanochryseno[2,1-c]oxepin-12-carboxylic acid, eicosahydro-3-hydroxy-7b,9a,12,13b,15a,16-hexamethyl-, (3R,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)- [ACD/Index Name]
Acide (1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-hydroxy-5,8,11,14,17,24-hexaméthyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tétracosane-11-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 178.9±16.7 °C
Index of Refraction: 1.566
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 29544.43
ACD/KOC (pH 5.5): 32908.62
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 474.81
ACD/KOC (pH 7.4): 528.88
Polar Surface Area: 67 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

Click to predict properties on the Chemicalize site


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