ChemSpider 2D Image | Globoidnan A | C26H20O10

Globoidnan A

  • Molecular FormulaC26H20O10
  • Average mass492.431 Da
  • Monoisotopic mass492.105652 Da
  • ChemSpider ID26333277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-(3,4-dihydroxyphenyl)-2-{[4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-naphthoyl]oxy}propanoic acid
(2R)-3-(3,4-Dihydroxyphenyl)-2-{[4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-naphthoyl]oxy}propanoic acid [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphenyl)-2-{[4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-naphthoyl]oxy}propansäure [German] [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, 4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-, (1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester [ACD/Index Name]
Acide (2R)-3-(3,4-dihydroxyphényl)-2-{[4-(3,4-dihydroxyphényl)-6,7-dihydroxy-2-naphtoyl]oxy}propanoïque [French] [ACD/IUPAC Name]
Globoidnan A [Wiki]
827322-48-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 894.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 307.4±27.8 °C
Index of Refraction: 1.769
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 93.0±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

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