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189311-13-5 | Butanal, 2,4-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethoxy]-, (2R,3R)-
CAS No: 189311-13-5 Catalog No: AG002I92 MDL No:
Product Description
Catalog Number:
AG002I92
Chemical Name:
Butanal, 2,4-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethoxy]-, (2R,3R)-
CAS Number:
189311-13-5
Molecular Formula:
C6H10O6
Molecular Weight:
178.1400
IUPAC Name:
(2R,3R)-2,4-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethoxy]butanal
InChI:
InChI=1S/C6H10O6/c7-1-4(10)5(2-8)12-6(11)3-9/h1,3-6,8,10-11H,2H2/t4-,5+,6+/m0/s1
InChI Key:
SUGUCCZVDDJYES-KVQBGUIXSA-N
SMILES:
O=C[C@@H](O[C@@H]([C@H](C=O)O)CO)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
178.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.14g/mol
Monoisotopic Mass:
178.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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