ChemSpider 2D Image | (7beta,8beta)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-one | C18H19NO4

(7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-one

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID23233505

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-on [German] [ACD/IUPAC Name]
(7β,8β)-3-Methoxy-17-methyl-4,5:7,8-diepoxymorphinan-6-one [ACD/IUPAC Name]
(7β,8β)-3-Méthoxy-17-méthyl-4,5:7,8-diépoxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5:7,8-diepoxy-3-methoxy-17-methyl-, (7β,8β)- [ACD/Index Name]
(15R,17R)-10-methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-one
10-methoxy-4-methyl-(13R,14R)-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.2±28.7 °C
Index of Refraction: 1.673
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 19.20
Polar Surface Area: 51 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 216.7±5.0 cm3

Click to predict properties on the Chemicalize site


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