ChemSpider 2D Image | (2R,5'S,6R,6'S,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydro-6'H,6aH-spiro[chromeno[3,4-b]furo[2,3-h]chromene-6,3'-[4,7]dioxabicyclo[4.1.0]heptane]-5',6'-diol | C27H28O9

(2R,5'S,6R,6'S,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydro-6'H,6aH-spiro[chromeno[3,4-b]furo[2,3-h]chromene-6,3'-[4,7]dioxabicyclo[4.1.0]heptane]-5',6'-diol

  • Molecular FormulaC27H28O9
  • Average mass496.506 Da
  • Monoisotopic mass496.173340 Da
  • ChemSpider ID76801728

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R,5'S,6R,6'S,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydro-6'H,6aH-spiro[chromeno[3,4-b]furo[2,3-h]chromene-6,3'-[4,7]dioxabicyclo[4.1.0]heptane]-5',6'-diol [ACD/IUPAC Name]
Spiro[3,7-dioxabicyclo[4.1.0]heptane-4,6'(12'H)-furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran]-1,2-diol, 1',2',6'a,12'a-tetrahydro-8',9'-dimethoxy-2'-(1-methylethenyl)-, (1S,2S,2'R,4R,6a'S,12a'S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.80
ACD/KOC (pH 5.5): 3691.33
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.72
ACD/KOC (pH 7.4): 3690.92
Polar Surface Area: 108 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

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