BGC > Product Search > (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate | 14152-97-7

Molecular Formula: C15H19NO9S
Molecular Weight: 389.38
Hazard Symbols: Xn
UN Number: 2810
WGKGermany: 3
HS Code: 29329990

Description :
2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate is a chiral thiourea catalyst that has emerged as an efficient class of organocatalysts due to their unique dual hydrogen-bonding capacity.

• Molecular Weight :389.38
• Boiling Point :469.7±45.0°C (Predicted)
• Melting Point :114-116°C
• Purity :≥98%

Molecular Formula :
C15H19NO9S
Canonical SMILES :
CC(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI :
InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey :
WOWNQYXIQWQJRJ-UXXRCYHCSA-N
Solubility :
Soluble in Chloroform (Sparingly), Methanol (Slightly)
Appearance :
White to Off-white Solid
Storage : Store at -20°C under inert atmosphere
Synonyms :
GITC; (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate; NSC 224452; b-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate; 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate; TAGIT; 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-β-D-glucopyranosylamine

More details are to be found here

Purity : 98%
Smile code : S=C=N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
MDL Number : MFCD00043085
MolFormula : C15H19NO9S
MolWeight : 389.3777
Available in stock : 88.2

More details are to be found here

Smile code:
S=C=N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
MDL Number:
MFCD00043085
Purity :
98%
Available in stock:
84.8 g

More details are to be found here