ChemSpider 2D Image | (2R,3S,7aS,11aR,11bR)-5,7a-Dihydroxy-2,3,4-trimethyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthene-6-carboxylic acid | C19H24O6

(2R,3S,7aS,11aR,11bR)-5,7a-Dihydroxy-2,3,4-trimethyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthene-6-carboxylic acid

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID35516656

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,7aS,11aR,11bR)-5,7a-Dihydroxy-2,3,4-trimethyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthen-6-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S,7aS,11aR,11bR)-5,7a-Dihydroxy-2,3,4-trimethyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthene-6-carboxylic acid [ACD/IUPAC Name]
2H-Pyrano[4,3,2-kl]xanthene-6-carboxylic acid, 3,7a,8,9,10,11,11a,11b-octahydro-5,7a-dihydroxy-2,3,4-trimethyl-, (2R,3S,7aS,11aR,11bR)- [ACD/Index Name]
Acide (2R,3S,7aS,11aR,11bR)-5,7a-dihydroxy-2,3,4-triméthyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthène-6-carboxylique [French] [ACD/IUPAC Name]
Penicitrinol M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 183.9±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 96 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 260.9±3.0 cm3

Click to predict properties on the Chemicalize site


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