Basic information
- CAS
13551-09-2- Standard SMILES
NC(N)=NC(CSSCC(N=C(N)N)C(=O)O)C(=O)O- InChIKey
SJDFZAUTVZNQJD-IMJSIDKUSA-N- Molecular formula
- C8H16N6O4S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.06744536
Names & identifiers
- Preferred name
- Cystine, N,N'-bis(aminoiminomethyl)-
- IUPAC
- 3-[[2-carboxy-2-(diaminomethylideneamino)ethyl]disulfanyl]-2-(diaminomethylideneamino)propanoic acid
- English name
- 3-[2-carboxy-2-(diaminomethylideneamino)ethyl]disulfanyl-2-(diaminomet hylideneamino)propanoic acid
- Molecular formula
- C8H16N6O4S2
- Molecular weight
- 324.38
Names & synonyms
13551-09-2Cystine, N,N'-bis(aminoiminomethyl)-NSC205873-[[2-carboxy-2-(diaminomethylideneamino)ethyl]disulfanyl]-2-(diaminomethylideneamino)propanoic acidN,N'-DicarbamimidoylcystineDTXSID40929029NSC 20587NSC-205873-[2-carboxy-2-(diaminomethylideneamino)ethyl]disulfanyl-2-(diaminomet hylideneamino)propanoic acid2-guanidino-3-[(2-guanidino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acidL-Cystine, N,N'-bis(aminoiminomethyl)-
Database identifiers
- CAS
13551-09-2- PubChem CID
- 228024
- DTXSID
DTXSID40929029
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 589.395 · 589.395±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.841 · 1.841±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.61 · 2.610±0.10(predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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