ChemSpider 2D Image | Methyl (2R,3'R)-3'-hydroxy-4,5,7,8,9,10'-hexamethoxy-3,9'-dioxo-4',9'-dihydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate | C31H28O14

Methyl (2R,3'R)-3'-hydroxy-4,5,7,8,9,10'-hexamethoxy-3,9'-dioxo-4',9'-dihydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate

  • Molecular FormulaC31H28O14
  • Average mass624.546 Da
  • Monoisotopic mass624.147888 Da
  • ChemSpider ID9585921

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methyl (2R,3'R)-3'-hydroxy-4,5,7,8,9,10'-hexamethoxy-3,9'-dioxo-4',9'-dihydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate [ACD/IUPAC Name]
Spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-7-carboxylic acid, 4,9-dihydro-3-hydroxy-4',5',7',8',9',10-hexamethoxy-3',9-dioxo-, methyl ester, (2R,3R)- [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: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 282.4±27.8 °C
Index of Refraction: 1.664
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.42
ACD/KOC (pH 5.5): 2738.99
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.41
ACD/KOC (pH 7.4): 2738.94
Polar Surface Area: 164 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 407.7±5.0 cm3

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