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870287-95-9 | Hexyl b-D-maltopyranoside
CAS No: 870287-95-9 Catalog No: AG004NJY MDL No:MFCD09750646
Product Description
Catalog Number:
AG004NJY
Chemical Name:
Hexyl b-D-maltopyranoside
CAS Number:
870287-95-9
Molecular Formula:
C18H34O11
Molecular Weight:
426.4560
MDL Number:
MFCD09750646
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-hexoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C18H34O11/c1-2-3-4-5-6-26-17-15(25)13(23)16(10(8-20)28-17)29-18-14(24)12(22)11(21)9(7-19)27-18/h9-25H,2-8H2,1H3/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
InChI Key:
KRYKGRXIHMMFCB-YMJSIHPXSA-N
SMILES:
CCCCCCO[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:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
426.21g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
426.459g/mol
Monoisotopic Mass:
426.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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