ChemSpider 2D Image | (2S,3R,4S,6R)-3,4-Dihydroxy-N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2,6-piperidinedicarboxamide | C47H72N4O5

(2S,3R,4S,6R)-3,4-Dihydroxy-N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2,6-piperidinedicarboxamide

  • Molecular FormulaC47H72N4O5
  • Average mass773.098 Da
  • Monoisotopic mass772.550293 Da
  • ChemSpider ID35516644

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3R,4S,6R)-3,4-Dihydroxy-N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylendecahydro-1-naphthalinyl]-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2,6-piperidindicarboxamid [German] [ACD/IUPAC Name]
(2S,3R,4S,6R)-3,4-Dihydroxy-N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-méthyl-8-méthylènedécahydro-1-naphtalényl]-1-{2-oxo-2-[(2-phényléthyl)amino]éthyl}-2,6-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
(2S,3R,4S,6R)-3,4-Dihydroxy-N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-2,6-piperidinedicarboxamide [ACD/IUPAC Name]
2,6-Piperidinedicarboxamide, N2,N6-bis[(1S,2S,4aR,8aS)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-3,4-dihydroxy-1-[2-oxo-2-[(2-phenylethyl)amino]ethyl]-, (2S,3R,4S,6R)- [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: 932.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 517.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 223.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 707007.25
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 829004.13
Polar Surface Area: 131 Å2
Polarizability: 88.6±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 671.4±5.0 cm3

Click to predict properties on the Chemicalize site


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