ChemSpider 2D Image | 4'-HYDROXYCLADOSPORIN | C16H20O6

4'-HYDROXYCLADOSPORIN

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID52085860

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R)-6,8-Dihydroxy-3-{[(2R,4R,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3R)-6,8-Dihydroxy-3-{[(2R,4R,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3R)-6,8-Dihydroxy-3-{[(2R,4R,6S)-4-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]méthyl}-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[[(2R,4R,6S)-tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-yl]methyl]-, (3R)- [ACD/Index Name]
4'-HYDROXYCLADOSPORIN
51484-09-4 [RN]

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

2WMQ2799OP [DBID]
UNII:2WMQ2799OP [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 229.8±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.26
ACD/KOC (pH 5.5): 408.72
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 25.86
ACD/KOC (pH 7.4): 338.05
Polar Surface Area: 96 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

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