ChemSpider 2D Image | Dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetate | C34H30O14

Dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetate

  • Molecular FormulaC34H30O14
  • Average mass662.594 Da
  • Monoisotopic mass662.163574 Da
  • ChemSpider ID2297784

More details:

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

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester [ACD/Index Name]
2,2'-(9,9',10,10'-Tétrahydroxy-7,7'-diméthoxy-1,1'-dioxo-3,3',4,4'-tétrahydro-1H,1'H-8,8'-bibenzo[g]isochromène-3,3'-diyl)diacétate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl)diacetate [ACD/IUPAC Name]
Dimethyl-2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3,3'-diyl)diacetat [German] [ACD/IUPAC Name]
(8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester
(8,8'-BI-1H-NAPHTHO(2,3-c)PYRAN)-3,3'-DIACETIC ACID, 3,3',4,4'-TETRAHYDRO-9,9',1
3,3',4,4'-Tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo(8,8'-bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, dimethyl ester
35483-50-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1240857/
Viriditoxin

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

SC 28762 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 833.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 265.9±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 166.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 448.5±3.0 cm3

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