ChemSpider 2D Image | Methyl [(2R,6R)-4-hydroxy-2,6-bis{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]carbamoyl}-1-piperidinyl]acetate | C40H65N3O5

Methyl [(2R,6R)-4-hydroxy-2,6-bis{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]carbamoyl}-1-piperidinyl]acetate

  • Molecular FormulaC40H65N3O5
  • Average mass667.961 Da
  • Monoisotopic mass667.492432 Da
  • ChemSpider ID35516645

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(2R,6R)-4-Hydroxy-2,6-bis{[(1S,2S,4aR,8aS)-2-isopropyl-4a-méthyl-8-méthylènedécahydro-1-naphtalényl]carbamoyl}-1-pipéridinyl]acétate de méthyle [French] [ACD/IUPAC Name]
1-Piperidineacetic acid, 2,6-bis[[[(1S,2S,4aR,8aS)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]amino]carbonyl]-4-hydroxy-, methyl ester, (2R,6R)- [ACD/Index Name]
Methyl [(2R,6R)-4-hydroxy-2,6-bis{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]carbamoyl}-1-piperidinyl]acetate [ACD/IUPAC Name]
Methyl-[(2R,6R)-4-hydroxy-2,6-bis{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylendecahydro-1-naphthalinyl]carbamoyl}-1-piperidinyl]acetat [German] [ACD/IUPAC 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: 796.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 435.6±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 230786.91
ACD/KOC (pH 5.5): 239598.02
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 232786.69
ACD/KOC (pH 7.4): 241674.16
Polar Surface Area: 108 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 598.4±5.0 cm3

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