Threonic Acid
Product Information
Molecular Formula
C4H8O5
Molecular Weight
136.1
Description
Applications: Threonic Acid is a metabolite of L-Ascorbic Acid , a natural Vitamin C and it forms part of the metabolome found in the Arabidopsis plant family, such as cabbage and radish, and it is involved in the plant's cold acclimation for freezing tolerance.
Synonyms
D-Threonic Acid||||(2R,3S)-2,3,4-trihydroxybutanoic Acid||||rel-(2R,3S)-2,3,4-Trihydroxybutanoic Acid
IUPAC Name
(2S,3R)-2,3,4-trihydroxybutanoic acid
SMILES
C(C(C(C(=O)O)O)O)O
InChI
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
InChI Key
JPIJQSOTBSSVTP-GBXIJSLDSA-N
Boiling Point
518.9±50.0 °C(Predicted)
Melting Point
98 °C
Density
1.650±0.06 g/cm3(Predicted)
Computed Properties
XLogP3
-2.1
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
136.03717335 g/mol
Monoisotopic Mass
136.03717335 g/mol
Topological Polar Surface Area
98Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
101
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
