ChemSpider 2D Image | F-14329 | C21H27NO5

F-14329

  • Molecular FormulaC21H27NO5
  • Average mass373.443 Da
  • Monoisotopic mass373.188934 Da
  • ChemSpider ID35517105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3Z,5S)-3-[(2S,4S,6E)-1-Hydroxy-2,4-dimethyl-6-octen-1-yliden]-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3Z,5S)-3-[(2S,4S,6E)-1-Hydroxy-2,4-dimethyl-6-octen-1-ylidene]-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3Z,5S)-3-[(2S,4S,6E)-1-Hydroxy-2,4-diméthyl-6-octén-1-ylidène]-5-[(S)-hydroxy(4-hydroxyphényl)méthyl]-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-, (3Z,5S)- [ACD/Index Name]
942195-19-9 [RN]
F-14329

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.14
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

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