(+) -Diethyl L-tartrate

CAT: 0024-sc-239735Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239735Size:25 g

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CAS Number

87-91-2

Chemical Information

Diethyl tartrate

diethyl tartrate is a metabolite found in or produced by Saccharomyces cerevisiae.

CAS Number	87-91-2
PubChem CID	6993580
IUPAC Name	diethyl (2R,3R)-2,3-dihydroxybutanedioate
Molecular Formula	C8H14O6
Molecular Weight	206.19
XLogP	-0.3
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	180

SMILES

CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O

InChI

InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey

YSAVZVORKRDODB-PHDIDXHHSA-N

Chemical Structure

2D Structure

CAS: 87-91-2

CID: 6993580

Formula: C8H14O6

MW: 206.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.19
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	206.07903816
Monoisotopic Mass	206.07903816
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes