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Search term: PJBBMFFOIIZWMA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(4-Morpholinyl)-2-propanyl 3-acetoxy-11-oxoolean-12-en-29-oate | C39H61NO6

1-(4-Morpholinyl)-2-propanyl 3-acetoxy-11-oxoolean-12-en-29-oate

  • Molecular FormulaC39H61NO6
  • Average mass639.905 Da
  • Monoisotopic mass639.449890 Da
  • ChemSpider ID2613026

More details:

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

1-(4-Morpholinyl)-2-propanyl 3-acetoxy-11-oxoolean-12-en-29-oate [ACD/IUPAC Name]
1-(4-Morpholinyl)-2-propanyl-3-acetoxy-11-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]
3-Acétoxy-11-oxooléan-12-én-29-oate de 1-(4-morpholinyl)-2-propanyle [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, 1-methyl-2-(4-morpholinyl)ethyl ester [ACD/Index Name]
1,2,6,6,10,17,20-heptamethyl-17-[(1-methyl-2-morpholin-4-ylethyl)oxycarbonyl]- 12-oxopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate
1,2,6,6,10,17,20-heptamethyl-17-[(1-methyl-2-morpholin-4-ylethyl)oxycarbonyl]-12-oxopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate
1-MORPHOLIN-4-YLPROPAN-2-YL 10-ACETYLOXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,6A,7,8,8A,10,11,12,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 94463.20
ACD/KOC (pH 5.5): 75563.51
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 546890.94
ACD/KOC (pH 7.4): 437471.94
Polar Surface Area: 82 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 564.4±5.0 cm3

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