ChemSpider 2D Image | (2R,3S,11aR,11bR)-9,11b-Dihydroxy-7-[(2S,3R)-3-hydroxy-2-butanyl]-11a-methoxy-2,3,4,8-tetramethyl-2,3,11a,11b-tetrahydro-5H-furo[3,2-c]xanthen-5-one | C24H30O7

(2R,3S,11aR,11bR)-9,11b-Dihydroxy-7-[(2S,3R)-3-hydroxy-2-butanyl]-11a-methoxy-2,3,4,8-tetramethyl-2,3,11a,11b-tetrahydro-5H-furo[3,2-c]xanthen-5-one

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID26618688

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,11aR,11bR)-9,11b-Dihydroxy-7-[(2S,3R)-3-hydroxy-2-butanyl]-11a-methoxy-2,3,4,8-tetramethyl-2,3,11a,11b-tetrahydro-5H-furo[3,2-c]xanthen-5-on [German] [ACD/IUPAC Name]
(2R,3S,11aR,11bR)-9,11b-Dihydroxy-7-[(2S,3R)-3-hydroxy-2-butanyl]-11a-methoxy-2,3,4,8-tetramethyl-2,3,11a,11b-tetrahydro-5H-furo[3,2-c]xanthen-5-one [ACD/IUPAC Name]
(2R,3S,11aR,11bR)-9,11b-Dihydroxy-7-[(2S,3R)-3-hydroxy-2-butanyl]-11a-méthoxy-2,3,4,8-tétraméthyl-2,3,11a,11b-tétrahydro-5H-furo[3,2-c]xanthén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-c]xanthen-5-one, 2,3,11a,11b-tetrahydro-9,11b-dihydroxy-7-[(1S,2R)-2-hydroxy-1-methylpropyl]-11a-methoxy-2,3,4,8-tetramethyl-, (2R,3S,11aR,11bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 224.6±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2183.97
ACD/KOC (pH 5.5): 8546.98
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2161.90
ACD/KOC (pH 7.4): 8460.61
Polar Surface Area: 105 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

Click to predict properties on the Chemicalize site


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