CAS 487-60-5 | 3-Indolyl-b-D-glucopyranoside | CAS Number 487-60-5

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487-60-5 | 3-Indolyl-b-D-glucopyranoside

CAS No: 487-60-5 Catalog No: AG003JL4 MDL No:MFCD00047169

Product Description

Catalog Number:

AG003JL4

Chemical Name:

3-Indolyl-b-D-glucopyranoside

CAS Number:

487-60-5

Molecular Formula:

C14H17NO6

Molecular Weight:

295.2879

MDL Number:

MFCD00047169

IUPAC Name:

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol

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

InChI Key:

XVARCVCWNFACQC-RKQHYHRCSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O

EC Number:

610-433-2

UNII:

N187WK1Y1J

Properties

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.291g/mol

Monoisotopic Mass:

295.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Alkaloids from the root of Isatis indigotica.	Journal of natural products 20120622
Formation of the indigo precursor indican in genetically engineered tobacco plants and cell cultures.	Plant biotechnology journal 20070101
Beta-glucosidase-catalyzed hydrolysis of indican from leaves of Polygonum tinctorium.	Biotechnology progress 20020101