56343-02-3
8-METHOXYCARBONYLOCTYL 2-ACETAMIDO-2-DEOXY-4-(A-L-FUCOPYRANOSYL)-3-O-(B-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Name8-METHOXYCARBONYLOCTYL 2-ACETAMIDO-2-DEOXY-4-(A-L-FUCOPYRANOSYL)-3-O-(B-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
8-METHOXYCARBONYLOCTYL 2-ACETAMIDO-2-DEOXY-4-(A-L-FUCOPYRANOSYL)-3-O-(B-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD07778321
【English Synonyms】
【Formula】
C30 H53 N O17
【MolWeight】
699.739
【Inchi】
InChI=1S/C30H53NO17/c1-14-20(36)22(38)24(40)29(44-14)47-26-17(13-33)46-28(43-11-9-7-5-4-6-8-10-18(35)42-3)19(31-15(2)34)27(26)48-30-25(41)23(39)21(37)16(12-32)45-30/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16+,17+,19+,20+,21-,22+,23-,24-,25+,26+,27+,28+,29-,30-/m0/s1
【InChIKey】
InChIKey=RAWIMSUPKCBBKH-JAXMHQHXSA-N
【SMILES】
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)OCCCCCCCCC(=O)OC)CO)O)O)O
【MOL File】
8-METHOXYCARBONYLOCT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:18
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-METHOXYCARBONYLOCTYL 2-ACETAMIDO-2-DEOXY-4-(A-L-FUCOPYRANOSYL)-3-O-(B-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE.cml