ChemSpider 2D Image | (2R,3S,7aS,11aR,11bR)-5-Hydroxy-7a-methoxy-2,3,4-trimethyl-3,7a,8,9,10,11,11a,11b-octahydro-2H-pyrano[4,3,2-kl]xanthene-6-carboxylic acid | C20H26O6

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

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID35516655

  • 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-Hydroxy-7a-methoxy-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-Hydroxy-7a-methoxy-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-hydroxy-7a-methoxy-2,3,4-trimethyl-, (2R,3S,7aS,11aR,11bR)- [ACD/Index Name]
Acide (2R,3S,7aS,11aR,11bR)-5-hydroxy-7a-méthoxy-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 L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 168.5±22.2 °C
Index of Refraction: 1.601
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 8.09
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 5.16
Polar Surface Area: 85 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 273.5±5.0 cm3

Click to predict properties on the Chemicalize site


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