b-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate


Chemical Name: b-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate
CAS Number: 14152-97-7
Product Number: AG001GIZ(AGN-PC-0PQXVJ)
Synonyms:
MDL No:
Molecular Formula: C21H16O11
Molecular Weight: 444.3451

Identification/Properties


Computed Properties
Molecular Weight:
389.375g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
10
Exact Mass:
389.078g/mol
Monoisotopic Mass:
389.078g/mol
Topological Polar Surface Area:
159A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
616
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H302+H312+H332-H315-H319-H334
Precautionary Statements:
P261-P280-P284-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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