ChemSpider 2D Image | 5-[2-(3-Acetamido-1-pyrrolidinyl)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl (3,4,5-trimethoxyphenyl)carbamate | C31H47N3O9

5-[2-(3-Acetamido-1-pyrrolidinyl)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl (3,4,5-trimethoxyphenyl)carbamate

  • Molecular FormulaC31H47N3O9
  • Average mass605.720 Da
  • Monoisotopic mass605.331238 Da
  • ChemSpider ID3094542

More details:

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

(3,4,5-Triméthoxyphényl)carbamate de 5-[2-(3-acétamido-1-pyrrolidinyl)-2-oxoéthyl]-6-hydroxy-1-(hydroxyméthyl)-1,4a-diméthyldécahydro-2-naphtalényle [French] [ACD/IUPAC Name]
5-[2-(3-Acetamido-1-pyrrolidinyl)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl (3,4,5-trimethoxyphenyl)carbamate [ACD/IUPAC Name]
5-[2-(3-Acetamido-1-pyrrolidinyl)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalinyl-(3,4,5-trimethoxyphenyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(3,4,5-trimethoxyphenyl)-, 5-[2-[3-(acetylamino)-1-pyrrolidinyl]-2-oxoethyl]decahydro-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-2-naphthalenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.1±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.69
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.69
Polar Surface Area: 156 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 473.2±5.0 cm3

Click to predict properties on the Chemicalize site


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