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L-Leucic acid

CAT: 0286-L02560-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-L02560-02Size:5 g
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CAS Number
13748-90-8
Synonyms
L-alpha-Hydroxyisocaproic acid; S-2-Hydroxy-4-methylpentanoic acid; S-2-Hydroxy-4-methylvaleric acid; (S) -2-Hydroxy-4-methylvaleric acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00064214
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Leucic acid, L-

(S)-2-hydroxy-4-methylpentanoic acid is the (S)-enantiomer of 2-hydroxy-4-methylpentanoic acid. Derived from the metabolism of the branched-chain amino acids, it belongs to the 2-hydroxycarboxylic acid group of amino acid metabolites. It is a (2S)-2-hydroxy monocarboxylic acid and a 2-hydroxy-4-methylvaleric acid. It is an enantiomer of a (R)-2-hydroxy-4-methylpentanoic acid.

CAS Number13748-90-8
PubChem CID83697
IUPAC Name(2S)-2-hydroxy-4-methylpentanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity98
SMILES
CC(C)C[C@@H](C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
LVRFTAZAXQPQHI-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of Leucic acid, L-
CAS: 13748-90-8
CID: 83697
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.5
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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