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Search term: 62277911 (Found by CSID)
ChemSpider 2D Image | pteridic acid E | C20H32O6

pteridic acid E

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID62277911

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E,4E,6S)-6-[(2S,3S,4R,5S,6S,8R,9S,10R)-4,10-Dihydroxy-3,5,8,9-tetramethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2,4-heptadienoic acid [ACD/IUPAC Name]
(2E,4E,6S)-6-[(2S,3S,4R,5S,6S,8R,9S,10R)-4,10-Dihydroxy-3,5,8,9-tetramethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2,4-heptadiensäure [German] [ACD/IUPAC Name]
Acide (2E,4E,6S)-6-[(2S,3S,4R,5S,6S,8R,9S,10R)-4,10-dihydroxy-3,5,8,9-tétraméthyl-1,7-dioxaspiro[5.5]undéc-2-yl]-2,4-heptadiénoïque [French] [ACD/IUPAC Name]
pteridic acid E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 199.9±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 45.46
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 313.1±5.0 cm3

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