chempirical

Rel-(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetracarboxylic acid

C9H10O8CAS 3786-91-2246.17 g/mol

Open in Covalent MOL file
OHOOOHOOHOHO
Carboxylic acid

Properties

Molecular formula
C9H10O8
Molar mass
246.17 g/mol
Exact mass
246.0376 Da
Melting point
195 °C (decomposes)
logP
-0.81Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
S, R, R, Sin SMILES atom order

Identifiers

CAS number
3786-91-2
SMILES
O=C(O)[C@@H]1[C@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIKey
WOSVXXBNNCUXMT-VERZDPOYNA-N
InChI
InChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t2-,3+,4-,5+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1,2,3,4-Cyclopentanetetracarboxylic acid, (1R,2R,3S,4S)-rel-
  • 1,2,3,4-Cyclopentanetetracarboxylic acid, all-cis-
  • 1,2,3,4-Cyclopentanetetracarboxylic acid, (1α,2α,3α,4α)-
  • 1-Cis,2-cis,3-cis,4-cis-Cyclopentanetetracarboxylic acid
  • 1α,2α,3α,4α-Cyclopentanetetracarboxylic acid
  • All-cis-1,2,3,4-Cyclopentanetetracarboxylic acid
  • NSC 73712
  • (1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetracarboxylic acid

Work with Rel-(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetracarboxylic acid

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

1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-458 % similar (±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-657 % similar trans-1,2-Cyclopentanedicarboxylic acid1461-97-852 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-552 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-052 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-352 % similar (1S,2S)-2-Fluorocyclopropanecarboxylic acid105919-34-452 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-052 % similar

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

Elsewhere

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