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Search term: AJPSBXJNFJCCBI-ACDAVLQGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5alpha,6Z)-17-Allyl-6-{(2E)-[(5alpha,6E)-17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol | C38H42N4O6

(5α,6Z)-17-Allyl-6-{(2E)-[(5α,6E)-17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol

  • Molecular FormulaC38H42N4O6
  • Average mass650.763 Da
  • Monoisotopic mass650.310425 Da
  • ChemSpider ID26375064

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,6Z)-17-Allyl-6-{(2E)-[(5α,6E)-17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-yliden]hydrazono}-4,5-epoxymorphinan-3,14-diol [German] [ACD/IUPAC Name]
(5α,6Z)-17-Allyl-6-{(2E)-[(5α,6E)-17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol [ACD/IUPAC Name]
(5α,6Z)-17-Allyl-6-{(2E)-[(5α,6E)-17-allyl-3,14-dihydroxy-4,5-époxymorphinane-6-ylidène]hydrazono}-4,5-époxymorphinane-3,14-diol [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, 2-[(5α,6E)-4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)morphinan-6-ylidene]hydrazone, (5α,6Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.792
Molar Refractivity: 174.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 19.62
ACD/KOC (pH 7.4): 209.58
Polar Surface Area: 131 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 410.5±7.0 cm3

Click to predict properties on the Chemicalize site


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