Found 1 result

Search term: 29215528 (Found by CSID)
ChemSpider 2D Image | (2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-Hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.0~5,9~]nonadeca-2,6,11,14-tetraen-6-yl]propyl acetate | C27H38O5

(2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-Hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11,14-tetraen-6-yl]propyl acetate

  • Molecular FormulaC27H38O5
  • Average mass442.588 Da
  • Monoisotopic mass442.271912 Da
  • ChemSpider ID29215528

  • 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

(2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-Hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11,14-tetraen-6-yl]propyl acetate [ACD/IUPAC Name]
(2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-Hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11,14-tetraen-6-yl]propyl-acetat [German] [ACD/IUPAC Name]
7,10-Epoxycyclopentacyclopentadecen-1(4H)-one, 3-[(1S)-2-(acetyloxy)-1-methylethyl]-3a,7,8,9,10,13,16,16a-octahydro-2-hydroxy-6,10,14,16a-tetramethyl-, (3aR,5E,7R,10S,11E,14E,16aS)- [ACD/Index Name]
Acétate de (2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-hydroxy-2,9,12,16-tétraméthyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadéca-2,6,11,14-tétraén-6-yl]propyle [French] [ACD/IUPAC Name]
fusaprolifin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 183.8±23.6 °C
Index of Refraction: 1.523
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6557.06
ACD/KOC (pH 5.5): 18773.58
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6376.06
ACD/KOC (pH 7.4): 18255.35
Polar Surface Area: 73 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 406.9±3.0 cm3

Click to predict properties on the Chemicalize site


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