198338-59-9
METHYL 2,3,4-TRI-O-BENZOYL-6-O-TRITYL-ALPHA-D-MANNOPYRANOSIDE
NameMETHYL 2,3,4-TRI-O-BENZOYL-6-O-TRITYL-ALPHA-D-MANNOPYRANOSIDE
1Identification
【Name】
METHYL 2,3,4-TRI-O-BENZOYL-6-O-TRITYL-ALPHA-D-MANNOPYRANOSIDE
【CAS】
【MDL】
MFCD09952930
【English Synonyms】
【Formula】
C47 H40 O9
【MolWeight】
748.824
【Inchi】
InChI=1S/C47H40O9/c1-51-46-42(56-45(50)35-24-12-4-13-25-35)41(55-44(49)34-22-10-3-11-23-34)40(54-43(48)33-20-8-2-9-21-33)39(53-46)32-52-47(36-26-14-5-15-27-36,37-28-16-6-17-29-37)38-30-18-7-19-31-38/h2-31,39-42,46H,32H2,1H3/t39-,40-,41+,42+,46+/m1/s1
【InChIKey】
InChIKey=VJVBHUDMUNAIQS-KPPHSOHNSA-N
【SMILES】
CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7
【MOL File】
METHYL 2,3,4-TRI-O-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2,3,4-TRI-O-BENZOYL-6-O-TRITYL-ALPHA-D-MANNOPYRANOSIDE.cml