Dimethyl D-(-)-Tartrate

• CAS: 13171-64-7
• Catalog Number: ACM13171647
• Category: Other Products
• Molecular Weight: 178.14g/mol
• Molecular Formula: C6H10O6
• Synonyms: AM81412; 13171-64-7; RTR-004341; Butanedioic acid, 2,3-dihydroxy-, dimethyl ester, (2S,3S)-; MFCD00008445; CTK3J2990; dl-Dimethyl tartrate; InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s; ZINC1555575; (-)-Dimethyl D-tartrate, 99%
• IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate
• Canonical SMILES: COC(=O)C(C(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
• InChI Key: PVRATXCXJDHJJN-IMJSIDKUSA-N
• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• EC Number: 236-118-6
• Exact Mass: 178.048g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 178.048g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 93.1A^2

Custom Q&A

What is the molecular formula of Dimethyl D-(-)-Tartrate?

The molecular formula of Dimethyl D-(-)-Tartrate is C6H10O6.

What is the molecular weight of Dimethyl D-(-)-Tartrate?

The molecular weight of Dimethyl D-(-)-Tartrate is 178.14 g/mol.

What is the IUPAC name of Dimethyl D-(-)-Tartrate?

The IUPAC name of Dimethyl D-(-)-Tartrate is dimethyl (2S,3S)-2,3-dihydroxybutanedioate.

What is the InChI key of Dimethyl D-(-)-Tartrate?

The InChI key of Dimethyl D-(-)-Tartrate is PVRATXCXJDHJJN-IMJSIDKUSA-N.

What is the Canonical SMILES of Dimethyl D-(-)-Tartrate?

The Canonical SMILES of Dimethyl D-(-)-Tartrate is COC(=O)C(C(C(=O)OC)O)O.

How many hydrogen bond donor counts are there in Dimethyl D-(-)-Tartrate?

There are 2 hydrogen bond donor counts in Dimethyl D-(-)-Tartrate.

How many hydrogen bond acceptor counts are there in Dimethyl D-(-)-Tartrate?

There are 6 hydrogen bond acceptor counts in Dimethyl D-(-)-Tartrate.

What is the topological polar surface area of Dimethyl D-(-)-Tartrate?

The topological polar surface area of Dimethyl D-(-)-Tartrate is 93.1 Å2.

How many defined atom stereocenter counts are there in Dimethyl D-(-)-Tartrate?

There are 2 defined atom stereocenter counts in Dimethyl D-(-)-Tartrate.

Is Dimethyl D-(-)-Tartrate a canonicalized compound?

Yes, Dimethyl D-(-)-Tartrate is a canonicalized compound.