(2S,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methylsulfanyl]oxane-3,4,5-triol


Chemical Name: (2S,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methylsulfanyl]oxane-3,4,5-triol
CAS Number: 35785-19-4
Product Number: AG00798F(AGN-PC-05J3X8)
Synonyms:
MDL No:
Molecular Formula: C13H17NO7S
Molecular Weight: 331.3416

Identification/Properties


Computed Properties
Molecular Weight:
331.339g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
331.073g/mol
Monoisotopic Mass:
331.073g/mol
Topological Polar Surface Area:
161A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
372
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


NMR Spectrum


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