2,3-Dihydroxy-3-methylpentanoic acid

CAT: 0127-OR1102238-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102238-01Size:50 mg

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CAS Number

562-43-6

MDL Number

MFCD19228608

Purity

95%

Smiles

CCC (C) (O) C (O) C (O) =O

Chemical Information

4,5-Dideoxy-3-C-methylpentonic acid

2,3-Dihydroxy-3-methylpentanoate is a hydroxy fatty acid.

CAS Number	562-43-6
PubChem CID	8
IUPAC Name	2,3-dihydroxy-3-methylpentanoic acid
Molecular Formula	C6H12O4
Molecular Weight	148.16
XLogP	-0.4
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	134

SMILES

CCC(C)(C(C(=O)O)O)O

InChI

InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)

InChIKey

PDGXJDXVGMHUIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 562-43-6

CID: 8

Formula: C6H12O4

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	148.07355886
Monoisotopic Mass	148.07355886
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR5351-01	3-Methylpentanoic acid
OR14777	2- (Benzoylamino) -3-methylpentanoic acid
OR1005827	2-Amino-3-methylpentanoic acid
OR1005009-01	2-Hydroxy-3-methylpentanoic acid
OR1102732-01	2- (2-Hydroxypropanamido) -3-methylpentanoic acid
OR471136	3- (3-Hydroxyphenyl) -4-methylpentanoic acid
OR1076488	(2R,3S) -2-hydroxy-3-methylpentanoic acid
BUP17469	3-Amino-4-methylpentanoic acid
OR1033286-01	5-Bromo-3-methylpentanoic acid
OR1027707-01	2-Ethyl-2-Methylpentanoic Acid

Catalog	Name
TRC-M234406-500MG	3-methylpentanoic acid
sc-396749A	2-hydroxy-3-methylpentanoic acid
CSB-DT1856	2-Hydroxy-3- methylpentanoic acid
AZA71677-01	3-Ethyl-2-methylpentanoic acid
WLC71194-01	2-Methoxy-3-methylpentanoic acid
DBA89273-01	3-Hydroxy-2-methylpentanoic acid
AAA10543	3-Methylpentanoic-d11 acid
JH171898	(3R) -3-methylpentanoic acid
265997-01	2- (Tert-Butoxycarbonylamino) -3-Methylpentanoic Acid
AR-P30737-01	2-Oxo-3-methylpentanoic Acid-d5