ChemSpider 2D Image | Methyl [9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3'-(2-oxopropyl)-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3-yl]acetate | C34H30O13

Methyl [9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3'-(2-oxopropyl)-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3-yl]acetate

  • Molecular FormulaC34H30O13
  • Average mass646.594 Da
  • Monoisotopic mass646.168640 Da
  • ChemSpider ID166183

More details:






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

[8,8'-Bi-1H-naphtho[2,3-c]pyran]-3-acetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3'-(2-oxopropyl)-, methyl ester [ACD/Index Name]
[9,9',10,10'-Tétrahydroxy-7,7'-diméthoxy-1,1'-dioxo-3'-(2-oxopropyl)-3,3',4,4'-tétrahydro-1H,1'H-8,8'-bibenzo[g]isochromén-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3'-(2-oxopropyl)-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3-yl]acetate [ACD/IUPAC Name]
Methyl-[9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3'-(2-oxopropyl)-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-3-yl]acetat [German] [ACD/IUPAC Name]
3-(2-Oxopropyl)-3'-methoxycarbonyl-methyl-3,3'4,4-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimeth oxy-1,1'-dioxo-8,8'-bi-1H-naphtho(2,3-c)pyran
55051-93-9 [RN]

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

SC 28763 [DBID]
SC-28763 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 842.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 270.1±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 442.2±3.0 cm3

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