141990-06-9
1,3,4,6-TETRA-O-ACETYL-2-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-FUCOPYRANOSYL)-D-GALACTOPYRANOSE
Name1,3,4,6-TETRA-O-ACETYL-2-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-FUCOPYRANOSYL)-D-GALACTOPYRANOSE
1Identification
【Name】
1,3,4,6-TETRA-O-ACETYL-2-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-FUCOPYRANOSYL)-D-GALACTOPYRANOSE
【CAS】
【MDL】
MFCD09750898
【English Synonyms】
【Formula】
C41 H42 O17
【MolWeight】
806.766
【Inchi】
InChI=1S/C41H42O17/c1-22-31(55-37(46)27-15-9-6-10-16-27)33(56-38(47)28-17-11-7-12-18-28)35(57-39(48)29-19-13-8-14-20-29)40(50-22)58-36-34(52-25(4)44)32(51-24(3)43)30(21-49-23(2)42)54-41(36)53-26(5)45/h6-20,22,30-36,40-41H,21H2,1-5H3/t22-,30+,31+,32-,33+,34-,35-,36+,40-,41-/m0/s1
【InChIKey】
InChIKey=GIVZWLZTZAUPTQ-OZHMRLOWSA-N
【SMILES】
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5
【MOL File】
1,3,4,6-TETRA-O-ACET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:17
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,4,6-TETRA-O-ACETYL-2-O-(2,3,4-TRI-O-BENZOYL-ALPHA-L-FUCOPYRANOSYL)-D-GALACTOPYRANOSE.cml