ChemSpider 2D Image | 2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}-3-(1H-indol-3-yl)propanoic acid | C34H40N2O6

2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}-3-(1H-indol-3-yl)propanoic acid

  • Molecular FormulaC34H40N2O6
  • Average mass572.691 Da
  • Monoisotopic mass572.288635 Da
  • ChemSpider ID8873668

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}-3-(1H-indol-3-yl)propanoic acid [ACD/IUPAC Name]
2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}-3-(1H-indol-3-yl)propansäure [German] [ACD/IUPAC Name]
Acide 2-{2-[(3E)-4,8-diméthyl-3,7-nonadién-1-yl]-3,5-dihydroxy-2-méthyl-7-oxo-3,4,7,9-tétrahydropyrano[2,3-e]isoindol-8(2H)-yl}-3-(1H-indol-3-yl)propanoïque [French] [ACD/IUPAC Name]
Pyrano[2,3-e]isoindole-8(2H)-acetic acid, 2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-3,4,7,9-tetrahydro-3,5-dihydroxy-α-(1H-indol-3-ylmethyl)-2-methyl-7-oxo- [ACD/Index Name]
SMTP-6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.6±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 142.31
ACD/KOC (pH 5.5): 275.88
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 12.24
Polar Surface Area: 123 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site


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