ChemSpider 2D Image | Methyl 8,10'-dihydroxy-5,7-bis[(~13~C)methyloxy]-4,9,9'-trioxo(2,3,3',3a,4,4',4a,4a',5,5',5a',6',7,7',8,8a,9,9',9a,9a',10',10a'-~13~C_22_)-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-py rano[4,3-g]chromene]-7'-(~13~C)carboxylate | C213C25H20O12

Methyl 8,10'-dihydroxy-5,7-bis[(13C)methyloxy]-4,9,9'-trioxo(2,3,3',3a,4,4',4a,4a',5,5',5a',6',7,7',8,8a,9,9',9a,9a',10',10a'-13C22)-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-py rano[4,3-g]chromene]-7'-(13C)carboxylate

  • Molecular FormulaC213C25H20O12
  • Average mass561.257 Da
  • Monoisotopic mass561.179321 Da
  • ChemSpider ID8730291

  • Non-standard isotope - Non-standard isotope

More details:

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

Methyl 8,10'-dihydroxy-5,7-bis[(13C)methyloxy]-4,9,9'-trioxo(2,3,3',3a,4,4',4a,4a',5,5',5a',6',7,7',8,8a,9,9',9a,9a',10',10a'-13C22)-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-py rano[4,3-g]chromene]-7'-(13C)carboxylate [ACD/IUPAC Name]
Spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-2,3,3',3'a,4,4',4a,4'a,5,5',5a,6,7,7',8',8'a,9,9',9a,9'a,10,10a-13C22-7-carboxylic-13C acid, 4,4',9,9'-tetrahydro-8',10-dihydr oxy-5',7'-bis(methyl-13C-oxy)-4',9,9'-trioxo-, methyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 320.0±5.0 cm3

Click to predict properties on the Chemicalize site


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