Concanavalin A

C₂₃H₃₂N₆O₈SCAS 11028-71-0552.60 g/mol

Open in Covalent MOL file

Alcohol Azide Carboxylic acid Ether Sulfonamide

Properties

Molecular formula: C₂₃H₃₂N₆O₈S
Molar mass: 552.60 g/mol
Exact mass: 552.2002 Da
logP: 2.00Crippen estimate
Polar surface area: 207.8 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 10

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H361 Suspected of damaging fertility or the unborn child42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, P501

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)

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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',3'-Dideoxythymidine3416-05-537 % similar 5'-O-Tritylthymidine7791-71-136 % similar 2'-Fluorothymidine122799-38-635 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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