Found 2 results

Search term: GLGGFIQLLRHAHL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,3-Bis[(2S,4aR)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]urea | C31H52N2O

1,3-Bis[(2S,4aR)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]urea

  • Molecular FormulaC31H52N2O
  • Average mass468.757 Da
  • Monoisotopic mass468.407959 Da
  • ChemSpider ID28282486

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,3-Bis[(2S,4aR)-2-isopropyl-4a-methyl-8-methylendecahydro-1-naphthalinyl]harnstoff [German] [ACD/IUPAC Name]
1,3-Bis[(2S,4aR)-2-isopropyl-4a-méthyl-8-méthylènedécahydro-1-naphtalényl]urée [French] [ACD/IUPAC Name]
1,3-Bis[(2S,4aR)-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl]urea [ACD/IUPAC Name]
Urea, N,N'-bis[(2S,4aR)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]- [ACD/Index Name]
halichonadin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 581.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 121.3±24.7 °C
Index of Refraction: 1.526
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1080620.75
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1080613.63
Polar Surface Area: 41 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 468.1±5.0 cm3

Click to predict properties on the Chemicalize site


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