Deprecated ChemSpider Record

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ChemSpider 2D Image | (5alpha,6alpha)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinan-3,14-diol | C33H51NO11

(5α,6α)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinan-3,14-diol

  • Molecular FormulaC33H51NO11
  • Average mass637.758 Da
  • Monoisotopic mass637.346191 Da
  • ChemSpider ID30789355
  • defined stereocentres - 5 of 5 defined stereocentres


More details:





Date of deprecation: 16:04, Jan 5, 2015
Reason for deprecation: Deprecate record: Missing a methyl

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(5α,6α)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinan-3,14-diol [German] [ACD/IUPAC Name]
(5α,6α)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinan-3,14-diol [ACD/IUPAC Name]
(5α,6α)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinane-3,14-diol [French] [ACD/IUPAC Name]
Morphinan-3,14-diol, 4,5-epoxy-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl)oxy]-17-(2-propen-1-yl)-, (5α,6α)- [ACD/Index Name]

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

AZ-13337019 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.37
Polar Surface Area: 138 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 496.4±5.0 cm3

Click to predict properties on the Chemicalize site





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