200,000+ products from a single source!
sales@angenechem.com
206761-78-6 | Butanoic acid, 2,3-dihydroxy-4-[(4-methylphenyl)amino]-4-oxo-, (2S,3S)-
CAS No: 206761-78-6 Catalog No: AG002IN9 MDL No:MFCD00070635
Product Description
Catalog Number:
AG002IN9
Chemical Name:
Butanoic acid, 2,3-dihydroxy-4-[(4-methylphenyl)amino]-4-oxo-, (2S,3S)-
CAS Number:
206761-78-6
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
MDL Number:
MFCD00070635
IUPAC Name:
(2S,3S)-2,3-dihydroxy-4-(4-methylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/t8-,9-/m0/s1
InChI Key:
XUPDOKFGWPFCPJ-IUCAKERBSA-N
SMILES:
O[C@@H]([C@@H](C(=O)O)O)C(=O)Nc1ccc(cc1)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.