The Biofilms Structural Database

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2-Naphtyl-1-thio-beta-D-galactopyranoside

4A6S

Code

GS9

Name

NAPHTHALEN-2-YL 1-THIO-BETA-D-GALACTOPYRANOSIDE

Molecular Weight

322.38

Isomeric SMILES

OC[[email protected]]1O[[email protected]@H](Sc2ccc3ccccc3c2)[[email protected]](O)[[email protected]@H](O)[[email protected]]1O

Formula

C16H18O5S

Identifiers

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-ylsulfanyl-oxane-3,4,5-triol

Formal Charge

0

InChI

InChI=1S/C16H18O5S/c17-8-12-13(18)14(19)15(20)16(21-12)22-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16+/m1/s1

Atom Count

40

InChIKey

UTPJJZURVZIAID-CWVYHPPDSA-N

PDB codes

4A6S

Type

NON-POLYMER

Chiral Atom Count

5

Chiral Atoms

C1, C2, C3, C4, C5

Bond Count

42

Aromatic Bond Count

11

Leaving Atoms

n/a