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(-) -Dimethyl D-tartrate

CAT: 0024-sc-234734Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-234734Size:25 g
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CAS Number
13171-64-7

Chemical Information

Dimethyl [S(R*,R*)]-tartrate
CAS Number13171-64-7
PubChem CID21142
IUPAC Namedimethyl (2S,3S)-2,3-dihydroxybutanedioate
Molecular FormulaC6H10O6
Molecular Weight178.14
XLogP-1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity157
SMILES
COC(=O)[C@H]([C@@H](C(=O)OC)O)O
InChI
InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s1
InChIKey
PVRATXCXJDHJJN-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl [S(R*,R*)]-tartrate
CAS: 13171-64-7
CID: 21142
Formula: C6H10O6
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass178.04773803
Monoisotopic Mass178.04773803
Topological Polar Surface Area93.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity157
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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