ChemSpider 2D Image | (2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7(2H)-one | C31H39NO5

(2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7(2H)-one

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID8544330

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7(2H)-on [German] [ACD/IUPAC Name]
(2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7(2H)-one [ACD/IUPAC Name]
(2R,3R)-2-[(3E)-4,8-Diméthyl-3,7-nonadién-1-yl]-3,5-dihydroxy-8-[2-(4-hydroxyphényl)éthyl]-2-méthyl-3,4,8,9-tétrahydropyrano[2,3-e]isoindol-7(2H)-one [French] [ACD/IUPAC Name]
Pyrano[2,3-e]isoindol-7(2H)-one, 2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-3,4,8,9-tetrahydro-3,5-dihydroxy-8-[2-(4-hydroxyphenyl)ethyl]-2-methyl-, (2R,3R)- [ACD/Index Name]
Stachybotrin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14168.96
ACD/KOC (pH 5.5): 32591.44
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14058.91
ACD/KOC (pH 7.4): 32338.29
Polar Surface Area: 90 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 427.5±3.0 cm3

Click to predict properties on the Chemicalize site


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