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126787-65-3

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Basic Information
CAS No.: 126787-65-3
Name: 3-Indoxyl-beta-D-galactopyranoside
Article Data: 3
Molecular Structure:
Molecular Structure of 126787-65-3 (3-Indoxyl-beta-D-galactopyranoside)
Formula: C14H17 N O6
Molecular Weight: 295.292
Synonyms: 1H-Indol-3-ylb-D-galactopyranoside; Indol-3-ol b-D-galactopyranoside; Indoxyl b-D-galactoside
EINECS: 1533716-785-6
Density: 1.562 g/cm3
Boiling Point: 606.7 °C at 760 mmHg
Flash Point: 320.7 °C
Solubility: soluable in MeOH
Appearance: white to off-white powder
Risk Codes: 67
Safety: 24 25
PSA: 115.17000
LogP: -0.65340
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Chemistry

Molecular Structure of 3-Indoxyl-beta-D-galactopyranoside (CAS No.126787-65-3):

Molecular Formula: C14H17NO6
Molecular Weight: 295.29
CAS No: 126787-65-3
H bond acceptors: 7
H bond donors: 5
Freely Rotating Bonds: 7
Polar Surface Area: 60.31 Å2
Index of Refraction: 1.715
Molar Refractivity: 74.23 cm3
Molar Volume: 188.9 cm3
Surface Tension: 77.4 dyne/cm
Density: 1.562 g/cm3
Flash Point: 320.7 °C
Enthalpy of Vaporization: 94.81 kJ/mol
Boiling Point: 606.7 °C at 760 mmHg
Vapour Pressure: 1.43E-15 mmHg at 25°C
IUPAC Name: (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
InChI: InChI=1/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11+,12+,13-,14-/m1/s1
InChIKey: XVARCVCWNFACQC-MBJXGIAVBU
Std. InChI: InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11+,12+,13-,14-/m1/s1
Std. InChIKey: XVARCVCWNFACQC-MBJXGIAVSA-N
Product Categories: G-H-I;Stains and Dyes;Stains Dyes, A to

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.

Specification

   3-Indoxyl-beta-D-galactopyranoside (CAS No.126787-65-3), its synonyms are 1H-Indol-3-yl beta-D-galactopyranoside ; beta-D-Galactopyranoside, 1H-indol-3-yl ; Indoxyl-ß-D-galactopyranoside .