79365-98-3
6-O-ALPHA-L-FUCOPYRANOSYL-N,N'-DIACETYLCHITOBIOSE
Name6-O-ALPHA-L-FUCOPYRANOSYL-N,N'-DIACETYLCHITOBIOSE
1Identification
【Name】
6-O-ALPHA-L-FUCOPYRANOSYL-N,N'-DIACETYLCHITOBIOSE
【CAS】
【MDL】
MFCD00133008
【English Synonyms】
【Formula】
C22 H38 N2 O15
【MolWeight】
570.541
【Inchi】
InChI=1S/C22H38N2O15/c1-6-13(28)17(32)18(33)22(36-6)35-5-10-19(16(31)11(20(34)37-10)23-7(2)26)39-21-12(24-8(3)27)15(30)14(29)9(4-25)38-21/h6,9-22,25,28-34H,4-5H2,1-3H3,(H,23,26)(H,24,27)/t6-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18-,19+,20?,21-,22+/m0/s1
【InChIKey】
InChIKey=YBYSAIOYCWNLAP-XSJKDFMTSA-N
【SMILES】
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O
【MOL File】
6-O-ALPHA-L-FUCOPYRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:10
H bond acceptor:17
XLogP3:-6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-O-ALPHA-L-FUCOPYRANOSYL-N,N'-DIACETYLCHITOBIOSE.cml