Basic information
- CAS
5329-58-8- Standard SMILES
OCC1OC(OC2C(CO)OC(Sc3ccccc3)C(O)C2O)C(O)C(O)C1O- InChIKey
FGJLUHTXBRGPSV-UHFFFAOYSA-N- Molecular formula
- C18H26O10S
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.1246682
Names & identifiers
- Preferred name
- 2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- b-D-Glucopyranoside, phenyl 4-O-b-D-galactopyranosyl-1-thio-
- Molecular formula
- C18H26O10S
- Molecular weight
- 434.45804
Names & synonyms
Phenyl1-Thio-beta-lactosidephenyl 4-o-hexopyranosyl-1-thiohexopyranosideNSC2571Phenyl 1-thio-beta-lactoside2-[4,5-dihydroxy-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolNSC-2571NSC224309NSC-224309PHENYL 4-O-.BETA.-D-GALACTOPYRANOSYL-1-THIO-.BETA.-D-GLUCOPYRANOSIDEPhenyl 1-Thio-β-lactosideb-D-Glucopyranoside, phenyl 4-O-b-D-galactopyranosyl-1-thio-
Database identifiers
- CAS
5329-58-8- PubChem CID
- 220201
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 507
Chemistry & industry
Applications
UsesPhenyl 1-Thio-β-lactoside as a reactant in the preparation of large-scale synthesis of globotriose through E. coli, as potential neutralizers for Shiga toxin.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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