ChemSpider 2D Image | Dimethyl 2,2'-{[(5alpha,6beta)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-3,6-diyl]bis(oxymethylene)}bisacrylate | C30H37NO8

Dimethyl 2,2'-{[(5α,6β)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-3,6-diyl]bis(oxymethylene)}bisacrylate

  • Molecular FormulaC30H37NO8
  • Average mass539.617 Da
  • Monoisotopic mass539.251892 Da
  • ChemSpider ID8590321

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,2'-{[(5α,6β)-17-(Cyclopropylméthyl)-14-hydroxy-4,5-époxymorphinane-3,6-diyl]bis(oxyméthylène)}bisacrylate de diméthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2,2'-[[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxymorphinan-3,6-diyl]bis(oxymethylene)]bis-, dimethyl ester [ACD/Index Name]
dimethyl 2,2'-{[(5α,6β)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-3,6-diyl]bis(oxymethanediyl)}bisprop-2-enoate
Dimethyl 2,2'-{[(5α,6β)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-3,6-diyl]bis(oxymethylene)}bisacrylate [ACD/IUPAC Name]
Dimethyl-2,2'-{[(5α,6β)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-3,6-diyl]bis(oxymethylen)}bisacrylat [German] [ACD/IUPAC Name]
methyl 2-[4-cyclopropylmethyl-17-hydroxy-10-(2-methyloxycarbonylallyloxy)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yloxymethyl]acrylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 14.06
ACD/KOC (pH 5.5): 67.65
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 530.28
ACD/KOC (pH 7.4): 2551.94
Polar Surface Area: 104 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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