Stannous 2,3-Dihydroxybutanedioate

Synopsis, Chemistry

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Also known as: 815-85-0, Tin(ii) tartrate hydrate, Schembl119233, Schembl119234, Tin(ii) 2,3-dihydroxysuccinate, 2,3-dihydroxybutanedioate;tin(2+)

Molecular Formula

C₄H₄O₆Sn

Molecular Weight

266.78 g/mol

InChI Key

YXTDAZMTQFUZHK-UHFFFAOYSA-L

1 2D Structure

Stannous 2,3-Dihydroxybutanedioate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxybutanedioate;tin(2+)

2.1.2 InChI

InChI=1S/C4H6O6.Sn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2

2.1.3 InChI Key

YXTDAZMTQFUZHK-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(C(C(=O)[O-])O)(C(=O)[O-])O.[Sn+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 815-85-0

2. Tin(ii) Tartrate Hydrate

3. Schembl119233

4. Schembl119234

5. Tin(ii) 2,3-dihydroxysuccinate

6. 2,3-dihydroxybutanedioate;tin(2+)

7. Mfcd09839752

8. Cs-0455892

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₄H₄O₆Sn
Molecular Weight	266.78 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	267.902990 g/mol
Monoisotopic Mass	267.902990 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2