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487-60-5

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Basic Information
CAS No.: 487-60-5
Name: 3-Indoxyl-beta-D-glucopyranoside
Molecular Structure:
Molecular Structure of 487-60-5 (3-Indoxyl-beta-D-glucopyranoside)
Formula: C14H17 N O6
Molecular Weight: 295.292
Synonyms: Indican(7CI); Indole, 3-(b-D-glucopyranosyloxy)- (8CI); 1H-Indol-3-yl b-D-glucopyranoside; 3-(Glucosyloxy)indole; Indican (glucoside);Indoxyl-b-D-glucoside; NSC 87517;Uroxanthin
EINECS: 610-433-2
Density: 1.562 g/cm3
Melting Point: 57-58 °C
Boiling Point: 606.7 °C at 760 mmHg
Flash Point: 320.7 °C
Solubility: white to off-white crystalline powder
Hazard Symbols: UN NO.
Safety: S22;S24/25
Transport Information: OTH
PSA: 115.17000
LogP: -0.65340
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Chemistry

Product Name: beta-D-Glucopyranoside, 1H-indol-3-yl (CAS NO.487-60-5)

Molecular Formula: C14H17NO6
Molecular Weight: 295.29g/mol
Mol File: 487-60-5.mol
Appearance: Crystalline Solid
Melting Point: 57-58 °C
Storage Temperature: -20°C
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 
XLogP3-AA: -0.1
H-Bond Donor: 5
H-Bond Acceptor: 6
Structure Descriptors of beta-D-Glucopyranoside, 1H-indol-3-yl (CAS NO.487-60-5):
  IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
  Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O
  Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
  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 
  InChIKey: XVARCVCWNFACQC-RKQHYHRCSA-N
Product Categories: Indoles and derivatives; Indoles; Simple Indoles; Carbohydrates & Derivatives; Fluorescent Labels & Indicators

Safety Profile

Safety Information of beta-D-Glucopyranoside, 1H-indol-3-yl (CAS NO.487-60-5):
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 beta-D-Glucopyranoside, 1H-indol-3-yl , its CAS NO. is 487-60-5, the synonyms are Indoxyl-beta-D-glucoside ; 1H-Indol-3-yl beta-glucopyranoside ; 3-(Glucosyloxy)indole ; Indole, 3-(beta-D-glucopyranosyloxy)- .