898796-62-8 Purity
96%
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Specification
The molecular formula of Gb3-beta-mp is C25H38O17.
The molecular weight of Gb3-beta-mp is 610.6 g/mol.
Gb3-beta-mp was created on February 16, 2015.
Gb3-beta-mp was last modified on December 30, 2023.
The IUPAC name of Gb3-beta-mp is (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
The InChI of Gb3-beta-mp is InChI=1S/C25H38O17/c1-36-9-2-4-10(5-3-9)37-23-19(34)16(31)21(12(7-27)39-23)42-25-20(35)17(32)22(13(8-28)40-25)41-24-18(33)15(30)14(29)11(6-26)38-24/h2-5,11-35H,6-8H2,1H3/t11-,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+/m1/s1.
The InChIKey of Gb3-beta-mp is SADQXSYAYSUILX-VAAZCZNESA-N.
The Canonical SMILES of Gb3-beta-mp is COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.
The XLogP3 value of Gb3-beta-mp is -5.
The hydrogen bond donor count of Gb3-beta-mp is 10.