ChemSpider 2D Image | Methyl [bis(2-{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]amino}-2-oxoethyl)amino]acetate | C37H61N3O4

Methyl [bis(2-{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]amino}-2-oxoethyl)amino]acetate

  • Molecular FormulaC37H61N3O4
  • Average mass611.898 Da
  • Monoisotopic mass611.466187 Da
  • ChemSpider ID35516642

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[Bis(2-{[(1S,2S,4aR,8aS)-2-isopropyl-4a-méthyl-8-méthylènedécahydro-1-naphtalényl]amino}-2-oxoéthyl)amino]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[bis[2-[[(1S,2S,4aR,8aS)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]amino]-2-oxoethyl]amino]-, methyl ester [ACD/Index Name]
Methyl [bis(2-{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]amino}-2-oxoethyl)amino]acetate [ACD/IUPAC Name]
Methyl-[bis(2-{[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylendecahydro-1-naphthalinyl]amino}-2-oxoethyl)amino]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: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 177.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.95
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 879432.31
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 879818.63
Polar Surface Area: 88 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 570.1±5.0 cm3

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