ChemSpider 2D Image | (7aR,13aS)-6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one | C23H22O7

(7aR,13aS)-6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one

  • Molecular FormulaC23H22O7
  • Average mass410.417 Da
  • Monoisotopic mass410.136566 Da
  • ChemSpider ID113610337

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7aR,13aS)-6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-on [German] [ACD/IUPAC Name]
(7aR,13aS)-6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one [ACD/IUPAC Name]
(7aR,13aS)-6-Hydroxy-9,10-diméthoxy-3,3-diméthyl-13,13a-dihydro-3H-chroméno[3,4-b]pyrano[2,3-h]chromén-7(7aH)-one [French] [ACD/IUPAC Name]
3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR,13aS)- [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: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8853.08
ACD/KOC (pH 5.5): 23098.89
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 2870.58
ACD/KOC (pH 7.4): 7489.74
Polar Surface Area: 83 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 312.6±3.0 cm3

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