chempirical

Concanavalin A

C23H32N6O8SCAS 11028-71-0552.60 g/mol

Open in Covalent MOL file
NSOOOOHNOHNOOHONN+N−
AlcoholAzideCarboxylic acidEtherSulfonamide

Properties

Molecular formula
C23H32N6O8S
Molar mass
552.60 g/mol
Exact mass
552.2002 Da
logP
2.00Crippen estimate
Polar surface area
207.8 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
10

Identifiers

CAS number
11028-71-0
SMILES
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
InChIKey
RVSZVJZFCQZYHQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)

Weigh it out

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

Names and synonyms

4 names
  • Concanavaline A
  • Con A
  • Lectins, concanavalins A
  • Concanavalins A

Work with Concanavalin A

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

Azidothymidine30516-87-144 % similar Probenecid57-66-944 % similar 2'-Fluorothymidine122799-38-635 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook