675616-81-6
2,4-di-O-acetyl-3,6-diazido-3,6-dideoxy-β-D-glucopyranosyl isothiocyanate
Name2,4-di-O-acetyl-3,6-diazido-3,6-dideoxy-β-D-glucopyranosyl isothiocyanate
1Identification
【Name】
2,4-di-O-acetyl-3,6-diazido-3,6-dideoxy-β-D-glucopyranosyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H13N7O5S
【MolWeight】
355.33
【Inchi】
InChI=1S/C11H13N7O5S/c1-5(19)21-9-7(3-15-17-12)23-11(14-4-24)10(22-6(2)20)8(9)16-18-13/h7-11H,3H2,1-2H3/t7-,8+,9-,10-,11-/m1/s1
【InChIKey】
InChIKey=UKBALJOSPIAKPJ-RCZSTQMZSA-N
【SMILES】
C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1N=[N+]=[N-])OC(C)=O)CN=[N+]=[N-])N=C=S
【MOL File】
2,4-di-O-acetyl-3,6-….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
2,4-di-O-acetyl-3,6-diazido-3,6-dideoxy-β-D-glucopyranosyl isothiocyanate.cml