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148565-58-6 | β-D-Glucopyranoside, dodecyl 4-O-α-D-glucopyranosyl-1-thio-
CAS No: 148565-58-6 Catalog No: AG001L13 MDL No:MFCD09750644
Product Description
Catalog Number:
AG001L13
Chemical Name:
β-D-Glucopyranoside, dodecyl 4-O-α-D-glucopyranosyl-1-thio-
CAS Number:
148565-58-6
Molecular Formula:
C24H46O10S
Molecular Weight:
526.6810
MDL Number:
MFCD09750644
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C24H46O10S/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChI Key:
ONZZYJQRGFMDCX-ALYNCGSASA-N
SMILES:
CCCCCCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
526.281g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
526.682g/mol
Monoisotopic Mass:
526.281g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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