ChemSpider 2D Image | Chlorophenol Red β-D-Galactopyranoside | C25H22Cl2O10S

Chlorophenol Red β-D-Galactopyranoside

  • Molecular FormulaC25H22Cl2O10S
  • Average mass585.407 Da
  • Monoisotopic mass584.031067 Da
  • ChemSpider ID113072

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Chlor-4-[3-(3-chlor-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-Chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl β-D-galactopyranoside [ACD/IUPAC Name]
99792-79-7 [RN]
Chlorophenol Red β-D-Galactopyranoside
β-D-Galactopyranoside de 2-chloro-4-[3-(3-chloro-4-hydroxyphényl)-1,1-dioxydo-3H-2,1-benzoxathiol-3-yl]phényle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl [ACD/Index Name]
3-(3-CHLORO-4-HYDROXYPHENYL)-3-(3-CHLORO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)-2,1??-BENZOXATHIOLE-1,1-DIONE
B-D-GALACTOPYRANOSIDE,2-CHLORO-4-[3-(3-CHLORO-4-HYDROXYPHENYL)-1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YL]PHENYL
chlorophenol red galactopyranoside
Chlorophenol red β-D-galactopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 17.54
ACD/KOC (pH 5.5): 261.88
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 27.90
Polar Surface Area: 171 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 352.4±3.0 cm3

Click to predict properties on the Chemicalize site


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