ChemSpider 2D Image | (5alpha,7beta)-17-(Cyclopropylmethyl)-7-[(2S)-2-hydroxy-3,3-dimethyl-2-pentanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C30H43NO4

(5α,7β)-17-(Cyclopropylmethyl)-7-[(2S)-2-hydroxy-3,3-dimethyl-2-pentanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC30H43NO4
  • Average mass481.667 Da
  • Monoisotopic mass481.319214 Da
  • ChemSpider ID58145089

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,7β)-17-(Cyclopropylmethyl)-7-[(2S)-2-hydroxy-3,3-dimethyl-2-pentanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,7β)-17-(Cyclopropylmethyl)-7-[(2S)-2-hydroxy-3,3-dimethyl-2-pentanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,7β)-17-(Cyclopropylméthyl)-7-[(2S)-2-hydroxy-3,3-diméthyl-2-pentanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylbutyl]-6-methoxy-, (5α,7β)- [ACD/Index Name]
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylpentan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
(2S)-2-[(5R,6R,7R,14S)-N-cyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6-methoxymorphinan-7-yl]-3,3-dimethylpentan-2-ol
1333904-22-5 [RN]
BU08028
compound 1b [PMID: 21866885]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 22.85
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 285.68
ACD/KOC (pH 7.4): 1059.66
Polar Surface Area: 62 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 384.4±5.0 cm3

Click to predict properties on the Chemicalize site


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