Home Other Building Blocks (2S,3R)-2-hydroxy-3-methylbutanedioic acid

(2S,3R)-2-hydroxy-3-methylbutanedioic acid

CAS No.:
85026-06-8
Catalog Number:
AG01DWPN
Molecular Formula:
C5H8O5
Molecular Weight:
148.1140
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Product Description
Catalog Number:
AG01DWPN
Chemical Name:
(2S,3R)-2-hydroxy-3-methylbutanedioic acid
CAS Number:
85026-06-8
Molecular Formula:
C5H8O5
Molecular Weight:
148.1140
MDL Number:
MFCD19228855
IUPAC Name:
(2S,3R)-2-hydroxy-3-methylbutanedioic acid
InChI:
InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3+/m1/s1
InChI Key:
NPYQJIHHTGFBLN-GBXIJSLDSA-N
SMILES:
OC(=O)[C@H]([C@H](C(=O)O)C)O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
148.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
148.114g/mol
Monoisotopic Mass:
148.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties