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


Chemical Name: b-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetrabenzoate
CAS Number: 132413-50-4
Product Number: AG0010NX(AGN-PC-0PJQ8R)
Synonyms:
MDL No:
Molecular Formula: C35H27NO9S
Molecular Weight: 637.6552

Identification/Properties


Properties
MP:
150-152℃ (lit.)
Form:
Solid
Computed Properties
Molecular Weight:
637.659g/mol
XLogP3:
7.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
14
Exact Mass:
637.141g/mol
Monoisotopic Mass:
637.141g/mol
Topological Polar Surface Area:
159A^2
Heavy Atom Count:
46
Formal Charge:
0
Complexity:
1090
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:
H315-H317-H319-H330-H334-H335-H351-H412
Precautionary Statements:
P201-P202-P260-P264-P271-P272-P273-P280-P284-P302+P352-P304+P340+P310-P305+P351+P338-P308+P313-P333+P313-P337+P313-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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