501088-17-1
METHYL 2-AZIDO-2-DEOXY-3-O-(PHENYLMETHYL)-ALPHA-D-GLUCOPYRANOSIDE 6-BENZOATE
NameMETHYL 2-AZIDO-2-DEOXY-3-O-(PHENYLMETHYL)-ALPHA-D-GLUCOPYRANOSIDE 6-BENZOATE
1Identification
【Name】
METHYL 2-AZIDO-2-DEOXY-3-O-(PHENYLMETHYL)-ALPHA-D-GLUCOPYRANOSIDE 6-BENZOATE
【CAS】
【MDL】
MFCD16660952
【English Synonyms】
【Formula】
C21 H23 N3 O6
【MolWeight】
413.428
【Inchi】
InChI=1S/C21H23N3O6/c1-27-21-17(23-24-22)19(28-12-14-8-4-2-5-9-14)18(25)16(30-21)13-29-20(26)15-10-6-3-7-11-15/h2-11,16-19,21,25H,12-13H2,1H3/t16-,17-,18-,19-,21+/m1/s1
【InChIKey】
InChIKey=QOEXLISGNMTLDE-FKAKKMJLSA-N
【SMILES】
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)O)OCc3ccccc3)N=[N+]=[N-]
【MOL File】
METHYL 2-AZIDO-2-DEO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-AZIDO-2-DEOXY-3-O-(PHENYLMETHYL)-ALPHA-D-GLUCOPYRANOSIDE 6-BENZOATE.cml