565460-96-0
2-AZIDO-2-DEOXY-D-GLUCOPYRANOSE, 3,4,6-TRIBENZOATE 1-(2,2,2-TRICHLOROETHANIMIDATE)
Name2-AZIDO-2-DEOXY-D-GLUCOPYRANOSE, 3,4,6-TRIBENZOATE 1-(2,2,2-TRICHLOROETHANIMIDATE)
1Identification
【Name】
2-AZIDO-2-DEOXY-D-GLUCOPYRANOSE, 3,4,6-TRIBENZOATE 1-(2,2,2-TRICHLOROETHANIMIDATE)
【CAS】
【MDL】
MFCD19980964
【English Synonyms】
【Formula】
C29 H23 Cl3 N4 O8
【MolWeight】
661.88
【Inchi】
InChI=1S/C29H23Cl3N4O8/c30-29(31,32)28(33)44-27-21(35-36-34)23(43-26(39)19-14-8-3-9-15-19)22(42-25(38)18-12-6-2-7-13-18)20(41-27)16-40-24(37)17-10-4-1-5-11-17/h1-15,20-23,27,33H,16H2/t20-,21-,22-,23-,27?/m1/s1
【InChIKey】
InChIKey=TUJOJLLZNOJKAU-UMCYXNKZSA-N
【SMILES】
c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=N)C(Cl)(Cl)Cl)N=[N+]=[N-])OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
2-AZIDO-2-DEOXY-D-GL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AZIDO-2-DEOXY-D-GLUCOPYRANOSE, 3,4,6-TRIBENZOATE 1-(2,2,2-TRICHLOROETHANIMIDATE).cml