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121591-98-8 | D-Glucose, O-α-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)-
CAS No: 121591-98-8 Catalog No: AG0015D2 MDL No:MFCD04040861
Product Description
Catalog Number:
AG0015D2
Chemical Name:
D-Glucose, O-α-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)-O-[α-D-xylopyranosyl-(1→6)]-O-β-D-glucopyranosyl-(1→4)-
CAS Number:
121591-98-8
MDL Number:
MFCD04040861
IUPAC Name:
5-[5-[3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
InChI:
InChI=1S/C39H66O33/c40-1-11-30(20(49)23(52)33(59)66-11)70-38-28(57)21(50)32(14(68-38)7-65-36-26(55)17(46)10(43)4-62-36)72-39-29(58)22(51)31(13(69-39)6-64-35-25(54)16(45)9(42)3-61-35)71-37-27(56)19(48)18(47)12(67-37)5-63-34-24(53)15(44)8(41)2-60-34/h8-59H,1-7H2
InChI Key:
PZUPAGRIHCRVKN-UHFFFAOYSA-N
Properties
Complexity:
1660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1062.349g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
33
Hydrogen Bond Donor Count:
20
Isotope Atom Count:
0
Molecular Weight:
1062.924g/mol
Monoisotopic Mass:
1062.349g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
525A^2
Undefined Atom Stereocenter Count:
32
Undefined Bond Stereocenter Count:
0
XLogP3:
-14.2
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