106445-23-2
(8-ETHOXYCARBONYLOCTYL)-3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
Name(8-ETHOXYCARBONYLOCTYL)-3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
(8-ETHOXYCARBONYLOCTYL)-3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD02094249
【EnglishSynonyms】
【pro_formula】
C31 H41 N O12
【pro_molWeight】
619.66
【Inchi】
InChI=1S/C31H41NO12/c1-5-39-25(36)16-10-8-6-7-9-13-17-40-31-26(32-29(37)22-14-11-12-15-23(22)30(32)38)28(43-21(4)35)27(42-20(3)34)24(44-31)18-41-19(2)33/h11-12,14-15,24,26-28,31H,5-10,13,16-18H2,1-4H3/t24-,26-,27-,28-,31-/m1/s1
【InChIKey】
InChIKey=OZILGRHVKAHOTM-CXYMUDLESA-N
【SMILES】
CCOC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)N2C(=O)c3ccccc3C2=O
【MOL File】
(8-ETHOXYCARBONYLOCT….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:13
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(8-ETHOXYCARBONYLOCTYL)-3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE.cml