Canavanine sulfate

C₅H₁₄N₄O₇SCAS 2219-31-0274.25 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine Primary amine

Properties

Molecular formula: C₅H₁₄N₄O₇S
Molar mass: 274.25 g/mol
Exact mass: 274.0583 Da
logP: -2.45Crippen estimate
Polar surface area: 209.1 Å²
H-bond donors / acceptors: 7 / 6
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

2219-31-0

SMILES

N=C(N)NOCC[C@H](N)C(=O)O.O=S(=O)(O)O

InChIKey

MVIPJKVMOKFIEV-DFWYDOINSA-N

InChI

InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

L-Homoserine, O-[(aminoiminomethyl)amino]-, sulfate (1:1)
Butyric acid, 2-amino-4-(guanidinooxy)-, sulfate (1:1), L-
L-Canavanine sulfate

Work with Canavanine sulfate

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

D-Arginine157-06-250 % similar (±)-Arginine7200-25-150 % similar Arginine74-79-350 % similar Homoarginine156-86-549 % similar L-(+)-Arginine monohydrochloride1119-34-247 % similar Arginine hydrochloride15595-35-447 % similar Arginine hydrochloride (1:?)32042-43-647 % similar D-Arginine hydrochloride627-75-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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