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585-86-4 | 4-O-beta-D-Galactopyranosyl-D-glucitol
CAS No: 585-86-4 Catalog No: AG00393V MDL No:
Product Description
Catalog Number:
AG00393V
Chemical Name:
4-O-beta-D-Galactopyranosyl-D-glucitol
CAS Number:
585-86-4
Molecular Formula:
C12H24O11
Molecular Weight:
344.3124
IUPAC Name:
(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
InChI:
InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
InChI Key:
VQHSOMBJVWLPSR-JVCRWLNRSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O
EC Number:
209-566-5
UNII:
L2B0WJF7ZY
NSC Number:
760415
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
344.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
344.313g/mol
Monoisotopic Mass:
344.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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