ChemSpider 2D Image | 2,5-Bis{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}pentanoic acid | C51H68N2O10

2,5-Bis{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}pentanoic acid

  • Molecular FormulaC51H68N2O10
  • Average mass869.093 Da
  • Monoisotopic mass868.487366 Da
  • ChemSpider ID78443858

More details:

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

2,5-Bis{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}pentanoic acid [ACD/IUPAC Name]
2,5-Bis{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}pentansäure [German] [ACD/IUPAC Name]
Acide 2,5-bis{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}pentanoïque [French] [ACD/IUPAC Name]
Pyrano[2,3-e]isoindole-8(2H)-pentanoic acid, 2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-α-[2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-3,4,7,9-tetrahydro-3,5-dihydroxy-2-methyl-7-oxopyrano[2,3-e]isoindol -8(2H)-yl]-3,4,7,9-tetrahydro-3,5-dihydroxy-2-methyl-7-oxo- [ACD/Index Name]
SMTP-7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1017.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.7±3.0 kJ/mol
Flash Point: 569.2±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 243.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 16758.44
ACD/KOC (pH 5.5): 8421.59
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 730.85
ACD/KOC (pH 7.4): 367.27
Polar Surface Area: 177 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 717.3±3.0 cm3

Click to predict properties on the Chemicalize site


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