MilliporeSigma
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335622

Supelco

2,3,4,6-Tetra-O-benzoyl-β-D-glucopyranosyl isothiocyanate

99%

Synonym(s):
BGITC
Empirical Formula (Hill Notation):
C35H27NO9S
CAS Number:
Molecular Weight:
637.66
Beilstein:
6692862
MDL number:
PubChem Substance ID:

assay

99%

optical activity

[α]25/D +29°, c = 1 in chloroform

mp

150-152 °C (lit.)

SMILES string

O=C(OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c3ccccc3)[C@@H]1OC(=O)c4ccccc4)c5ccccc5

InChI

1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27-,28-,29+,30-,31-/m1/s1

InChI key

RITGYQZMPNVVEG-PXPWAULYSA-N

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