Found 10 results

Search term: MF = 'C_{31}H_{30}O_{14}'
ChemSpider 2D Image | Methyl (2R,3S,3'R)-3,3'-dihydroxy-4,5,7,8,9,10'-hexamethoxy-9'-oxo-4',9'-dihydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[4,3-g]chromene]-7'-carboxylate | C31H30O14

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

  • Molecular FormulaC31H30O14
  • Average mass626.562 Da
  • Monoisotopic mass626.163574 Da
  • ChemSpider ID9608451

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methyl (2R,3S,3'R)-3,3'-dihydroxy-4,5,7,8,9,10'-hexamethoxy-9'-oxo-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-3,3'-dihydroxy-4',5',7',8',9',10-hexamethoxy-9-oxo-, methyl ester, (2R,3R,3'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: 857.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 279.5±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.79
ACD/KOC (pH 5.5): 884.24
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.78
ACD/KOC (pH 7.4): 884.12
Polar Surface Area: 167 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

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