ChemSpider 2D Image | Salvianolic Acid C | C26H20O10

Salvianolic Acid C

  • Molecular FormulaC26H20O10
  • Average mass492.431 Da
  • Monoisotopic mass492.105652 Da
  • ChemSpider ID24534179

  • 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)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoic acid [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propansäure [German] [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl}oxy)propanoic acid
(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxy}propanoic acid
(R,E)-3-(3,4-dihydroxyphenyl)-2-((3-(2-(3,4-dihydroxyphenyl)-7-hydroxybenzofuran-4-yl)acryloyl)oxy)propanoic acid
115841-09-3 [RN]
Acide (2R)-3-(3,4-dihydroxyphényl)-2-({(2E)-3-[2-(3,4-dihydroxyphényl)-7-hydroxy-1-benzofuran-4-yl]-2-propenoyl}oxy)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)- [ACD/Index Name]
Salvianolic Acid C
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I16H9Z53ZL [DBID]
UNII:I16H9Z53ZL [DBID]
UNII-I16H9Z53ZL [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: 844.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.6±3.0 kJ/mol
    Flash Point: 464.4±34.3 °C
    Index of Refraction: 1.752
    Molar Refractivity: 128.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.04
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 178 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 85.0±3.0 dyne/cm
    Molar Volume: 313.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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