chempirical

Cystine dihydrochloride

C6H14Cl2N2O4S2CAS 30925-07-6313.21 g/mol

Open in Covalent MOL file
HClHClNH2SSNH2OOHOHO
Carboxylic acidDisulfidePrimary amine

Properties

Molecular formula
C6H14Cl2N2O4S2
Molar mass
313.21 g/mol
Exact mass
311.9772 Da
logP
0.04Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
30925-07-6
SMILES
Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChIKey
HHGZUQPEIHGQST-RGVONZFCSA-N
InChI
InChI=1S/C6H12N2O4S2.2ClH/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);2*1H/t3-,4-;;/m0../s1

Weigh it out

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

Names and synonyms

3 names
  • L-Cystine, dihydrochloride
  • L-Cystine, hydrochloride (1:2)
  • Cystine, dihydrochloride, L-

Work with Cystine dihydrochloride

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

L-Cystine, hydrochloride (1:?)34760-60-6100 % similar D-Cystine349-46-288 % similar Cystine923-32-088 % similar Dl-lanthionine3183-08-267 % similar S-Methylcysteine1187-84-466 % similar S-tert-Butyl-L-cysteine hydrochloride2481-09-664 % similar Djenkolic acid498-59-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar

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

Elsewhere

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