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Search term: LLYKFTJDMLXUDK-XVMPFKDUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6beta)-6-(Benzyloxy)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol | C27H31NO4

(6β)-6-(Benzyloxy)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol

  • Molecular FormulaC27H31NO4
  • Average mass433.539 Da
  • Monoisotopic mass433.225311 Da
  • ChemSpider ID28942642

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(6β)-6-(Benzyloxy)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol [German] [ACD/IUPAC Name]
(6β)-6-(Benzyloxy)-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol [ACD/IUPAC Name]
(6β)-6-(Benzyloxy)-17-(cyclopropylméthyl)-4,5-époxymorphinane-3,14-diol [French] [ACD/IUPAC Name]
Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-(phenylmethoxy)-, (6β)- [ACD/Index 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: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 32.27
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 208.76
ACD/KOC (pH 7.4): 1275.05
Polar Surface Area: 62 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 315.5±5.0 cm3

Click to predict properties on the Chemicalize site


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