ChemSpider 2D Image | (2R)-3-(2-Hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]-1-propanesulfonic acid | C20H26O10S2

(2R)-3-(2-Hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]-1-propanesulfonic acid

  • Molecular FormulaC20H26O10S2
  • Average mass490.544 Da
  • Monoisotopic mass490.096741 Da
  • ChemSpider ID23010088

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(2-Hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]-1-propanesulfonic acid [ACD/IUPAC Name]
(2R)-3-(2-Hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]-1-propansulfonsäure [German] [ACD/IUPAC Name]
Acide (2R)-3-(2-hydroxy-3-méthoxyphényl)-2-[2-méthoxy-4-(3-sulfopropyl)phénoxy]-1-propanesulfonique [French] [ACD/IUPAC Name]
Benzenepropanesulfonic acid, 2-hydroxy-3-methoxy-β-[2-methoxy-4-(3-sulfopropyl)phenoxy]-, (βR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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