ChemSpider 2D Image | Salvianolic acid D | C20H18O10

Salvianolic acid D

  • Molecular FormulaC20H18O10
  • Average mass418.351 Da
  • Monoisotopic mass418.089996 Da
  • ChemSpider ID30783500

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-({(2E)-3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
142998-47-8 [RN]
Acide (2R)-2-({(2E)-3-[2-(carboxyméthyl)-3,4-dihydroxyphényl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)- [ACD/Index Name]
Salvianolic acid D
(2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
[142998-47-8] [RN]
MFCD23379932
Salvianolic-acid-D

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

28R85321EY [DBID]
UNII:28R85321EY [DBID]
UNII-28R85321EY [DBID]

    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): -3.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.47
    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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