936026-72-1
PROPIONYL 3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-THIOGALACTOPYRANOSIDE
NamePROPIONYL 3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-THIOGALACTOPYRANOSIDE
1Identification
【Name】
PROPIONYL 3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-THIOGALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD04039667
【English Synonyms】
【Formula】
C17 H25 N O9 S
【MolWeight】
419.448
【Inchi】
InChI=1S/C17H25NO9S/c1-6-13(23)28-17-14(18-8(2)19)16(26-11(5)22)15(25-10(4)21)12(27-17)7-24-9(3)20/h12,14-17H,6-7H2,1-5H3,(H,18,19)/t12-,14-,15+,16-,17+/m1/s1
【InChIKey】
InChIKey=QGSFJJRCISUTCH-CMZRPVNOSA-N
【SMILES】
CCC(=O)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
【MOL File】
PROPIONYL 3,4,6-TRI-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROPIONYL 3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-THIOGALACTOPYRANOSIDE.cml