675616-80-5
2,3,4-tri-O-acetyl-6-azido-6-deoxy-β-D-glucopyranosyl isothiocyanate
Name2,3,4-tri-O-acetyl-6-azido-6-deoxy-β-D-glucopyranosyl isothiocyanate
1Identification
【Name】
2,3,4-tri-O-acetyl-6-azido-6-deoxy-β-D-glucopyranosyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H16N4O7S
【MolWeight】
372.354
【Inchi】
InChI=1S/C13H16N4O7S/c1-6(18)21-10-9(4-16-17-14)24-13(15-5-25)12(23-8(3)20)11(10)22-7(2)19/h9-13H,4H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
【InChIKey】
InChIKey=NLTUHUZCMGVTCJ-UJPOAAIJSA-N
【SMILES】
C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)CN=[N+]=[N-])N=C=S
【MOL File】
2,3,4-tri-O-acetyl-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4-tri-O-acetyl-6-azido-6-deoxy-β-D-glucopyranosyl isothiocyanate.cml