chempirical

Diammonium tartrate

C4H12N2O6CAS 3164-29-2184.15 g/mol

Open in Covalent MOL file
NH3NH3OHOOHOHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C4H12N2O6
Molar mass
184.15 g/mol
Exact mass
184.0695 Da
Density
1.6 g/mL
logP
-1.80Crippen estimate
Polar surface area
185.1 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
3164-29-2
SMILES
N.N.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
NGPGDYLVALNKEG-OLXYHTOASA-N
InChI
InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3/t1-,2-;;/m1../s1

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Names and synonyms

11 names
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, ammonium salt (1:2)
  • Tartaric acid, diammonium salt
  • Ammonium tartrate ((NH4)2O6C4H4)
  • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, diammonium salt
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diammonium salt
  • Ammonium d-tartrate
  • L-Tartaric acid ammonium salt
  • Diammonium L-(+)-tartrate
  • Diammonium d-tartrate
  • Ammonium tartrate
  • (2R,3R)-2,3-Dihydroxysuccinic acid diammonia salt

Work with Diammonium tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dl-tartaric acid133-37-982 % similar D-Tartaric acid147-71-782 % similar 2,3-Dihydroxybutanedioic acid526-83-082 % similar Tartaric acid87-69-482 % similar Mucic acid526-99-868 % similar Saccharic acid87-73-068 % similar (S)-2-Hydroxy-3-methylbutanoic acid17407-55-557 % similar (±)-2-Hydroxyisovaleric acid4026-18-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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