Found 16 results

Search term: MF = 'C_{35}H_{51}NO_{4}'
ChemSpider 2D Image | (5alpha,6alpha)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (9Z)-9-octadecenoate | C35H51NO4

(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (9Z)-9-octadecenoate

  • Molecular FormulaC35H51NO4
  • Average mass549.784 Da
  • Monoisotopic mass549.381836 Da
  • ChemSpider ID57451211

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(5α,6α)-3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (5α,6α)-3-hydroxy-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl ester, (9Z)- [ACD/Index Name]
(1S,5R,13R,14S,17R)-10-HYDROXY-4-METHYL-12-OXA-4-AZAPENTACYCLO[9.6.1.0–,–.0?,–?.0?,–?]OCTADECA-7(18),8,10,15-TETRAEN-14-YL (9Z)-OCTADEC-9-ENOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 343.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 25297.50
ACD/KOC (pH 5.5): 11909.67
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 550550.94
Polar Surface Area: 59 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 486.9±5.0 cm3

Click to predict properties on the Chemicalize site


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