53643-14-4
4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE
Name
4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE
Formula
C42 H60 N4 O23
MolWeight
988.941
1Identification
【Name】
4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE
【CAS】
【MDL】
MFCD00274442
【English Synonyms】
【Formula】
C42 H60 N4 O23
【MolWeight】
988.941
【Inchi】
InChI=1S/C42H60N4O23/c1-14-8-26(55)62-21-9-19(6-7-20(14)21)61-39-28(44-16(3)52)33(58)36(23(11-48)64-39)68-41-30(46-18(5)54)35(60)38(25(13-50)66-41)69-42-29(45-17(4)53)34(59)37(24(12-49)65-42)67-40-27(43-15(2)51)32(57)31(56)22(10-47)63-40/h6-9,22-25,27-42,47-50,56-60H,10-13H2,1-5H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t22-,23-,24-,25-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+/m1/s1
【InChIKey】
InChIKey=FMZCALJGBTWBDB-BGWTZNANSA-N
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:13
H bond acceptor:27
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE.cml
Quick Release
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