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(-) -Diethyl D-tartrate

CAT: 0024-sc-239730Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239730Size:5 g
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CAS Number
13811-71-7

Chemical Information

Diethyl [S-(R*,R*)]-tartrate

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CAS Number13811-71-7
PubChem CID117410
IUPAC Namediethyl (2S,3S)-2,3-dihydroxybutanedioate
Molecular FormulaC8H14O6
Molecular Weight206.19
XLogP-0.3
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity180
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-/m0/s1
InChIKey
YSAVZVORKRDODB-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of Diethyl [S-(R*,R*)]-tartrate
CAS: 13811-71-7
CID: 117410
Formula: C8H14O6
MW: 206.19
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight206.19
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass206.07903816
Monoisotopic Mass206.07903816
Topological Polar Surface Area93.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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