Found 1 result

Search term: 78436880 (Found by CSID)
ChemSpider 2D Image | (2S)-2-[(2S,3S)-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]propanoic acid | C26H35NO6

(2S)-2-[(2S,3S)-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]propanoic acid

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID78436880

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-[(2S,3S)-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]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(2S,3S)-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]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(2S,3S)-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]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,2-dimethyl-7-oxo-, (αS,2S,3S)- [ACD/Index Name]
SMTP-12

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 8.03
ACD/KOC (pH 5.5): 38.07
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 107 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 377.5±3.0 cm3

Click to predict properties on the Chemicalize site


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