Calcium 3-Hydroxy-3-Methylbutanoate

CAT: 1299-RG-H250434-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-H250434-01Size:10 mg

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CAS Number

135236-72-5

Synonyms

Calcium 3-hydroxy-3-methylbutanoate

Molecular Formula

C10H18CaO6

Molecular Weight

274.32

Product Name Synonym

Calcium 3-hydroxy-3-methylbutanoate

Chemical Information

Calcium 3-hydroxy-3-methyl-butyrate

CAS Number	135236-72-5
PubChem CID	9860341
IUPAC Name	calcium bis(3-hydroxy-3-methylbutanoate)
Molecular Formula	C10H18CaO6
Molecular Weight	274.32
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	90

SMILES

CC(C)(CC(=O)[O-])O.CC(C)(CC(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2

InChIKey

WLJUMPWVUPNXMF-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 135236-72-5

CID: 9860341

Formula: C10H18CaO6

MW: 274.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.32
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	274.0729291
Monoisotopic Mass	274.0729291
Topological Polar Surface Area	121 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	90.3
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	3
Compound Is Canonicalized	Yes

Catalog	Name
RG-E140178-01	Chloromethyl 3-methylbutanoate
RG-E200832-01	Ethyl 2-Cyano-3-Methylbutanoate
RG-P022605-01	Methyl 2,2-Dichloro-3-Methylbutanoate
RG-E140179-01	Chloromethyl 2-methylbutanoate
RG-A261295-01	Methyl 2-Methylbutanoate
RM-A202282-01	Para-Hydroxy Atorvastatin-d5 Calcium Salt
RM-A202284-01	Ortho-Hydroxy Atorvastatin-d5 Calcium Salt
RM-C360001-01	Carbofuran-3-Hydroxy
RG-E140254-01	3-hydroxy-3-methylpentanedioic acid
RG-E141582-01	5-Hydroxy-3,3-dimethylcyclohexanone

Catalog	Name
OR920803	3-Hydroxy-3-methylbutyric acid calcium salt hydrate
AR-B05786-01	Calcium 3-Hydroxy-3-Methyl Butyric Acid Monohydrate
TRC-A422097-1G	Calcium a-Hydroxy-γ-Methylmercaptobutyrate
GTR19272805-01	Calcium β-hydroxy-β-methylbutyrate
TRC-A422097-500MG	Calcium a-Hydroxy-gamma-Methylmercaptobutyrate
FN11744-01	Calcium β-hydroxy-β-methylbutyrate monohydrate
abx184656	Calcium β-hydroxy-β-methylbutyric acid
IN12088-01	Calcium 3-Hydroxy-4- ((4-Methyl-2-Sulfonatophenyl) Diazenyl) -2-Naphthoate
477007	CALHM3 (Calcium Homeostasis Modulator Protein 3, Calcium Homeostasis Modulator 3)
CS-O-00659	2-Hydroxy Atorvastatin-d5 Calcium