Found 1 result

Search term: 78440411 (Found by CSID)
ChemSpider 2D Image | (3E,5S)-3-[(2E,4E,6S,7R)-1,7-Dihydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione | C21H25NO5

(3E,5S)-3-[(2E,4E,6S,7R)-1,7-Dihydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione

  • Molecular FormulaC21H25NO5
  • Average mass371.427 Da
  • Monoisotopic mass371.173279 Da
  • ChemSpider ID78440411

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E,5S)-3-[(2E,4E,6S,7R)-1,7-Dihydroxy-4,6-dimethyl-2,4-octadien-1-yliden]-5-(4-hydroxybenzyl)-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3E,5S)-3-[(2E,4E,6S,7R)-1,7-Dihydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3E,5S)-3-[(2E,4E,6S,7R)-1,7-Dihydroxy-4,6-diméthyl-2,4-octadién-1-ylidène]-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[(2E,4E,6S,7R)-1,7-dihydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-5-[(4-hydroxyphenyl)methyl]-, (3E,5S)- [ACD/Index Name]
Anti-12-hydroxypretenellin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.2±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 77.07
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.78
Polar Surface Area: 107 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


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