ChemSpider 2D Image | (3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Amino-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-2-picenecarboxamide | C30H50N2O2

(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Amino-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-2-picenecarboxamide

  • Molecular FormulaC30H50N2O2
  • Average mass470.730 Da
  • Monoisotopic mass470.387238 Da
  • ChemSpider ID26345193

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Amino-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-2-picencarboxamid [German] [ACD/IUPAC Name]
(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Amino-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-2-picenecarboxamide [ACD/IUPAC Name]
(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-Amino-3-hydroxy-4,6a,6b,8a,11,12,14b-heptaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-2-picènecarboxamide [French] [ACD/IUPAC Name]
2-Picenecarboxamide, 4-amino-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-, (3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)- [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: 597.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.0±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 75.10
ACD/KOC (pH 5.5): 107.03
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 1190.42
ACD/KOC (pH 7.4): 1696.45
Polar Surface Area: 89 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 426.0±5.0 cm3

Click to predict properties on the Chemicalize site


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