Dimethyl DL-Malate

CAT: 0024-sc-487233Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487233Size:10 g

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CAS Number

38115-87-6

Chemical Information

Dimethyl malate

Dimethylmalate has been reported in Dendrobium huoshanense, Dendrobium officinale, and other organisms with data available.

CAS Number	38115-87-6
PubChem CID	12674
IUPAC Name	dimethyl 2-hydroxybutanedioate
Molecular Formula	C6H10O5
Molecular Weight	162.14
XLogP	-0.7
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

COC(=O)CC(C(=O)OC)O

InChI

InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

InChIKey

YSEKNCXYRGKTBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38115-87-6

CID: 12674

Formula: C6H10O5

MW: 162.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.14
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	162.05282342
Monoisotopic Mass	162.05282342
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487978	Piperazine DL-Malate
sc-487231	Dibutyl DL-Malate
sc-487232	Diethyl DL-Malate
sc-239762	Dimethyl (R) - (+) -malate
sc-211343	Dimethyl (S) - (-) -Malate
sc-483525	L-Citrulline DL-Malate (1:1)
sc-239822A	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822B	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822C	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone
sc-239822	DL-α-Hydroxy-β, β-dimethyl-γ-butyrolactone

Catalog	Name
RG-A262420-01	Dimethyl Malate
TN8749-01	Dimethyl D-malate
272570-01	Dimethyl (S) - (-) -malate
274521-01	Dimethyl D- (+) -Malate
TRC-D474575-5G	Dimethyl (S)-(-)-Malate
D3693-35	Dimethyl (S) - (-) -Malate (S-Dimethylmalate)
MBS6063018-01	Dimethyl (S)-(-)-Malate (S-Dimethylmalate)
C3762-25000	Dimethyl DL-Glutamate (hydrochloride)
D480348	Dimethyl DL-Glutamate Hydrochloride
TRC-D479680-5G	O,a-Dimethyl-DL-tyrosine