ChemSpider 2D Image | Methyl 3,4,5-tri-O-acetyl-2,6-anhydro-6-{2-[(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl)amino]-2-oxoethyl}-D-gulonate | C33H40N2O12

Methyl 3,4,5-tri-O-acetyl-2,6-anhydro-6-{2-[(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl)amino]-2-oxoethyl}-D-gulonate

  • Molecular FormulaC33H40N2O12
  • Average mass656.677 Da
  • Monoisotopic mass656.258118 Da
  • ChemSpider ID9673181

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

3,4,5-Tri-O-acétyl-2,6-anhydro-6-{2-[(3-méthoxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yl)amino]-2-oxoéthyl}-D-gulonate de méthyle [French] [ACD/IUPAC Name]
Methyl 3,4,5-tri-O-acetyl-2,6-anhydro-6-{2-[(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl)amino]-2-oxoethyl}-D-gulonate [ACD/IUPAC Name]
Methyl-3,4,5-tri-O-acetyl-2,6-anhydro-6-{2-[(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl)amino]-2-oxoethyl}-D-gulonat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 30.75
Polar Surface Area: 165 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 472.4±5.0 cm3

Click to predict properties on the Chemicalize site


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