D-Cystine

C₆H₁₂N₂O₄S₂CAS 349-46-2240.29 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide Primary amine

Properties

Molecular formula: C₆H₁₂N₂O₄S₂
Molar mass: 240.29 g/mol
Exact mass: 240.0238 Da
logP: -0.81Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 7
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

349-46-2

SMILES

N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O

InChIKey

LEVWYRKDKASIDU-QWWZWVQMSA-N

InChI

InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1

Weigh it out

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

Names and synonyms

2 names

Cystine, D-
(S)-Cystine

Work with D-Cystine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cystine56-89-3Enantiomer 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-0Stereo not defined Cystine dihydrochloride30925-07-6Salt, enantiomer L-Cystine, hydrochloride (1:?)34760-60-6Salt, enantiomer

Similar compounds

DL-Lanthionine3183-08-275 % similar Djenkolic acid498-59-969 % similar S-Methylcysteine1187-84-467 % similar 3-[(1,1-Dimethylethyl)dithio]-L-alanine30044-51-067 % similar Homocystine462-10-263 % similar Homocystine626-72-263 % similar DL-Homocystine870-93-963 % similar S-Allylcysteine21593-77-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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