58109-18-5
1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYLSULFONYL-ALPHA-D-ALLOFURANOSE
Name1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYLSULFONYL-ALPHA-D-ALLOFURANOSE
1Identification
【Name】
1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYLSULFONYL-ALPHA-D-ALLOFURANOSE
【CAS】
【MDL】
MFCD08704084
【English Synonyms】
【Formula】
C19 H30 O8 S
【MolWeight】
418.504
【Inchi】
InChI=1S/C19H30O8S/c1-28(20,21)27-15-14(13-12-22-18(24-13)8-4-2-5-9-18)23-17-16(15)25-19(26-17)10-6-3-7-11-19/h13-17H,2-12H2,1H3/t13-,14-,15-,16-,17-/m1/s1
【InChIKey】
InChIKey=REPDTBPBSNSDHH-WRQOLXDDSA-N
【SMILES】
CS(=O)(=O)O[C@@H]1[C@H](O[C@H]2[C@@H]1OC3(O2)CCCCC3)[C@H]4COC5(O4)CCCCC5
【MOL File】
1,2:5,6-DI-O-CYCLOHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-O-METHYLSULFONYL-ALPHA-D-ALLOFURANOSE.cml