ChemSpider 2D Image | (2R)-2-({3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]acryloyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid | C20H18O10

(2R)-2-({3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]acryloyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

  • Molecular FormulaC20H18O10
  • Average mass418.351 Da
  • Monoisotopic mass418.089996 Da
  • ChemSpider ID57577079

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]acryloyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-({3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]acryloyl}oxy)-3-(3,4-dihydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-({3-[2-(carboxyméthyl)-3,4-dihydroxyphényl]acryloyl}oxy)-3-(3,4-dihydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)- [ACD/Index Name]
142998-47-8 [RN]
Salvianolic acid D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 786.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 280.2±26.4 °C
Index of Refraction: 1.717
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 260.3±3.0 cm3

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