ChemSpider 2D Image | hippolide B | C26H39NO4

hippolide B

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID26334456
  • 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-Methoxy-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-Methoxy-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-Méthoxy-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-methoxy-5-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-pyran-2-yl]-, (3S)- [ACD/Index Name]
hippolide B
(3S)-3-[(2R,6S)-6-methoxy-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: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14199.97
ACD/KOC (pH 5.5): 32641.29
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13951.01
ACD/KOC (pH 7.4): 32069.00
Polar Surface Area: 65 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

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