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20314-62-9 | D-Galactose, 2-(acetylamino)-2-deoxy-3-O-α-L-idopyranuronosyl-
CAS No: 20314-62-9 Catalog No: AG0028PH MDL No:
Product Description
Catalog Number:
AG0028PH
Chemical Name:
D-Galactose, 2-(acetylamino)-2-deoxy-3-O-α-L-idopyranuronosyl-
CAS Number:
20314-62-9
Molecular Formula:
C14H23NO12
Molecular Weight:
397.3319
IUPAC Name:
(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C14H23NO12/c1-4(18)15-5(2-16)11(7(20)6(19)3-17)26-14-10(23)8(21)9(22)12(27-14)13(24)25/h2,5-12,14,17,19-23H,3H2,1H3,(H,15,18)(H,24,25)/t5-,6+,7-,8-,9-,10+,11+,12+,14+/m0/s1
InChI Key:
VBDULUWSKCYWTK-RAWGSSNYSA-N
SMILES:
O=C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
397.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
397.333g/mol
Monoisotopic Mass:
397.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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