ChemSpider 2D Image | (5alpha,6E)-17-(Cyclopropylmethyl)-6-{[(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol | C40H46N4O6

(5α,6E)-17-(Cyclopropylmethyl)-6-{[(5α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol

  • Molecular FormulaC40H46N4O6
  • Average mass678.816 Da
  • Monoisotopic mass678.341736 Da
  • ChemSpider ID98612058

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5α,6E)-17-(Cyclopropylmethyl)-6-{[(5α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yliden]hydrazono}-4,5-epoxymorphinan-3,14-diol [German] [ACD/IUPAC Name]
(5α,6E)-17-(Cyclopropylmethyl)-6-{[(5α)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol [ACD/IUPAC Name]
(5α,6E)-17-(Cyclopropylméthyl)-6-{[(5α)-17-(cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-ylidène]hydrazono}-4,5-époxymorphinane-3,14-diol [French] [ACD/IUPAC Name]
morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, 2-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-ylidene]hydrazone, (5α,6E)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.889
Molar Refractivity: 178.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 5.75
ACD/KOC (pH 7.4): 47.17
Polar Surface Area: 131 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 83.2±7.0 dyne/cm
Molar Volume: 387.3±7.0 cm3

Click to predict properties on the Chemicalize site


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