76334-09-3
1-O-[BETA-D-GALACTOPYRANOSYL]-N-TETRACOSANOYL-DL-DIHYDROSPHINGOSINE
Name1-O-[BETA-D-GALACTOPYRANOSYL]-N-TETRACOSANOYL-DL-DIHYDROSPHINGOSINE
1Identification
【Name】
1-O-[BETA-D-GALACTOPYRANOSYL]-N-TETRACOSANOYL-DL-DIHYDROSPHINGOSINE
【CAS】
【MDL】
MFCD00057504
【English Synonyms】
【Formula】
C48 H95 N O8
【MolWeight】
814.278
【Inchi】
InChI=1S/C48H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)/t41?,42?,43-,45+,46+,47-,48?/m1/s1
【InChIKey】
InChIKey=SNPQGCDJHZAVOB-KMNQECFOSA-N
【SMILES】
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(CCCCCCCCCCCCCCC)O
【MOL File】
1-O-[BETA-D-GALACTOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:9
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
1-O-[BETA-D-GALACTOPYRANOSYL]-N-TETRACOSANOYL-DL-DIHYDROSPHINGOSINE.cml