1-(3-Benzyl-2-thioureido)-1-deoxy-beta-d-glucopyranose 2,3,4,6-tetraacetate

HCID 4329366
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Basic information

Standard SMILES
CC(=O)OCC1OC(NC(=S)NCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
VVSYQGBORQWETA-UHFFFAOYSA-N
Molecular formula
C22H28N2O9S
Average molar mass
496.5 g/mol

Names & identifiers

Preferred name
1-(3-Benzyl-2-thioureido)-1-deoxy-beta-d-glucopyranose 2,3,4,6-tetraacetate
IUPAC
[3,4,5-triacetyloxy-6-(benzylcarbamothioylamino)oxan-2-yl]methyl acetate

Names & synonyms

SPNHSYCJLWBKLP-UHFFFAOYSA-NAKOS0243510351-(3-Benzyl-2-thioureido)-1-deoxy-.beta.-d-glucopyranose 2,3,4,6-tetraacetateST50975556AG-205/076740582,3,4,6-Tetra-O-acetyl-N-[(benzylamino)carbothioyl]hexopyranosylamine #3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-{[(benzylamino)carbothioyl]amino}tetrahydro-2H-pyran-4-yl acetate4,5-diacetyloxy-6-(acetyloxymethyl)-2-({[benzylamino]thioxomethyl}amino)-2H-3, 4,5,6-tetrahydropyran-3-yl acetate

Database identifiers

PubChem CID
4329366

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
171 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
34

Related reactions

1 records
New reaction record

Linked notes

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