ChemSpider 2D Image | hippolide A | C25H37NO4

hippolide A

  • Molecular FormulaC25H37NO4
  • Average mass415.566 Da
  • Monoisotopic mass415.272247 Da
  • ChemSpider ID26398272

  • 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

(3S)-3-{(2R,6S)-6-Hydroxy-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3S)-3-{(2R,6S)-6-Hydroxy-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3S)-3-{(2R,6S)-6-Hydroxy-5-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 3-[(2R,6S)-3,6-dihydro-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-pyran-2-yl]-, (3S)- [ACD/Index Name]
hippolide A
(3S)-3-[(2R,6S)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]pyrrolidine-2,5-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3434.69
ACD/KOC (pH 5.5): 11818.25
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3371.03
ACD/KOC (pH 7.4): 11599.22
Polar Surface Area: 76 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

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