(3,4,5-Triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetate

HCID 312833CAS 14152-97-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
WOWNQYXIQWQJRJ-UHFFFAOYSA-N
Molecular formula
C15H19NO9S
Average molar mass
389.4 g/mol

Names & identifiers

Preferred name
(3,4,5-Triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetate
IUPAC
(3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetate

Names & synonyms

C15H19NO9S2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosylisothiocyanate2,3,4,6-tetra-o-acetyl-beta-d-galactopyranosyl isothiocyanate(3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetateOprea1_073074SCHEMBL143421592,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE [FOR HPLC LABELING]NSC224452NSC-224452LS-14409DB-0633802,3,4,6-Tetra-O-acetyl-?-D-glucopyranosyl isothiocyanate
Show more names
(3,4,5-triacetoxy-6-isothiocyanato-tetrahydropyran-2-yl)methyl acetate2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate for chiral derivatization

Database identifiers

CAS
14152-97-7
PubChem CID
312833
Nikkaji
J2.229.420B

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
159 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
26

Related reactions

7 records
New reaction record

Linked notes

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