a-D-Galactopyranoside, isothiocyanatophenyl


Chemical Name: a-D-Galactopyranoside, isothiocyanatophenyl
CAS Number: 120967-92-2
Product Number: AG008SPF(AGN-PC-0PFD2C)
Synonyms:
MDL No: MFCD00057921
Molecular Formula: C13H15NO6S
Molecular Weight: 313.3263

Identification/Properties


Computed Properties
Molecular Weight:
313.324g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
313.062g/mol
Monoisotopic Mass:
313.062g/mol
Topological Polar Surface Area:
144A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
383
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

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NMR Spectrum


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