ChemSpider 2D Image | thermorubin A | C32H24O12

thermorubin A

  • Molecular FormulaC32H24O12
  • Average mass600.526 Da
  • Monoisotopic mass600.126770 Da
  • ChemSpider ID4572204
  • Double-bond stereo - Double-bond stereo


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

{12-Hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)-2-propenoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid [ACD/IUPAC Name]
{12-Hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)-2-propenoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}essigsäure [German] [ACD/IUPAC Name]
{12-Hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid
11006-83-0 [RN]
1H-Anthra[2,3-c]pyran-8-acetic acid, 12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo- [ACD/Index Name]
Acide {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphényl)-2-propenoyl]-10,11-diméthoxy-3-(méthoxycarbonyl)-1-oxo-1H-naphto[2,3-g]isochromén-8-yl}acétique [French] [ACD/IUPAC Name]
thermorubin A
10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-1H-anthra(2,3-c)pyran-8-acetic acid
1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-
1H-Anthra[2,3-c]pyran-8-acetic acid, 12-hydroxy-9-[(1Z)-1-hydroxy-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UE3QVK518U [DBID]
AIDS187929 [DBID]
AIDS-187929 [DBID]
NSC105760 [DBID]
UNII:UE3QVK518U [DBID]
UNII-UE3QVK518U [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 942.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 309.8±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 155.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 17.07
ACD/KOC (pH 5.5): 73.47
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

Click to predict properties on the Chemicalize site






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