CAS 35804-66-1 | b-D-Glucopyranosiduronic acid, 1H-indol-3-yl | CAS Number 35804-66-1

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35804-66-1 | b-D-Glucopyranosiduronic acid, 1H-indol-3-yl

CAS No: 35804-66-1 Catalog No: AG00I73K MDL No:MFCD00083390

Product Description

Catalog Number:

AG00I73K

Chemical Name:

b-D-Glucopyranosiduronic acid, 1H-indol-3-yl

CAS Number:

35804-66-1

Molecular Formula:

C20H28N2O7

Molecular Weight:

408.4455

MDL Number:

MFCD00083390

IUPAC Name:

cyclohexanamine;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid

InChI:

InChI=1S/C14H15NO7.C6H13N/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8;7-6-4-2-1-3-5-6/h1-5,9-12,14-18H,(H,19,20);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1

InChI Key:

YGIPNZMTCTUCAX-CYRSAHDMSA-N

SMILES:

OC(=O)C1OC(Oc2c[nH]c3c2cccc3)C(C(C1O)O)O.NC1CCCCC1

Properties

Complexity:

466

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

408.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

408.451g/mol

Monoisotopic Mass:

408.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

158A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Rapid and specific detection of hydroxyl radical using an ultraweak chemiluminescence analyzer and a low-level chemiluminescence emitter: application to hydroxyl radical-scavenging ability of aqueous extracts of Food constituents.	Journal of agricultural and food chemistry 20010501