5-Hydroxypentanoic acid

CAT: 0127-OR955847Size: 1 gDry Ice: NoHazardous: No

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CAS Number

13392-69-3

MDL Number

MFCD06203224

Purity

95%

Smiles

OCCCCC(=O)O

Chemical Information

5-Hydroxypentanoic acid

5-hydroxypentanoic acid is an -hydroxy fatty acid consisting of pentanoic acid carrying a hydroxy group at C-5. It is an omega-hydroxy-short-chain fatty acid, a 5-hydroxy monocarboxylic acid and a straight-chain fatty acid. It is functionally related to a valeric acid. It is a conjugate acid of a 5-hydroxypentanoate.

CAS Number	13392-69-3
PubChem CID	25945
IUPAC Name	5-hydroxypentanoic acid
Molecular Formula	C5H10O3
Molecular Weight	118.13
XLogP	-0.1
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

C(CCO)CC(=O)O

InChI

InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)

InChIKey

PHOJOSOUIAQEDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13392-69-3

CID: 25945

Formula: C5H10O3

MW: 118.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	118.13
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	118.062994177
Monoisotopic Mass	118.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR1067981-01	(3S,4S) -4- ((((9H-Fluoren-9-yl) methoxy) carbonyl) amino) -5-cyclohexyl-3-hydroxypentanoic acid
OR1064009-01	2- ((((9H-Fluoren-9-yl) methoxy) carbonyl) amino) -3-hydroxypentanoic acid

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Catalog	Name
T207513-01	5-Hydroxypentanoic acid
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161924	5-Hydroxypentanoic Acid Methyl Ester
TN9799-01	2-Hydroxypentanoic acid
TNU0874-01	5-Hydroxypentanoic acid sodium salt
AR-P30728-01	4-Hydroxypentanoic Acid
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UCA61919-01	5-Amino-3-hydroxypentanoic acid hydrochloride
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5-Hydroxypentanoic acid

Chemical Information

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