ChemSpider 2D Image | (2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-N-(2-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide | C31H43NO4

(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-N-(2-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID58988999

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-N-(2-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picencarboxamid [German] [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-N-(2-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-N-(2-hydroxyéthyl)-2,4a,6a,9,12b,14a-hexaméthyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tétradécahydro-2-picènecarboxamide [French] [ACD/IUPAC Name]
2-Picenecarboxamide, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-N-(2-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)- [ACD/Index 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: 725.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13370.42
ACD/KOC (pH 5.5): 31259.76
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12592.06
ACD/KOC (pH 7.4): 29439.97
Polar Surface Area: 87 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 412.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement