ChemSpider 2D Image | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-[(tert-butoxycarbonyl)amino]benzoate | C27H27NO10

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-[(tert-butoxycarbonyl)amino]benzoate

  • Molecular FormulaC27H27NO10
  • Average mass525.504 Da
  • Monoisotopic mass525.163513 Da
  • ChemSpider ID23297169

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoate [ACD/IUPAC Name]
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-[(tert-butoxycarbonyl)amino]benzoate
(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
4-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)benzoate de (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester [ACD/Index Name]
(-)-(2R, 3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-chroman-3-yl 4'-(tert-butoxycarbonyl)-aminobenzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 747.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.0±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.44
ACD/KOC (pH 5.5): 2320.69
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.27
ACD/KOC (pH 7.4): 2214.52
Polar Surface Area: 175 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 341.4±5.0 cm3

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