51885-01-9
4-NITROPHENYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-THIOMANNOPYRANOSIDE
Name4-NITROPHENYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-THIOMANNOPYRANOSIDE
1Identification
【Name】
4-NITROPHENYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-THIOMANNOPYRANOSIDE
【CAS】
【MDL】
MFCD09952950
【English Synonyms】
【Formula】
C20 H23 N O11 S
【MolWeight】
485.464
【Inchi】
InChI=1S/C20H23NO11S/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(32-16)33-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19+,20-/m1/s1
【InChIKey】
InChIKey=IHHMHEJEWLLMLL-SWBPCFCJSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Sc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
4-NITROPHENYL 2,3,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROPHENYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-THIOMANNOPYRANOSIDE.cml