Basic information
- CAS
626-72-2- Standard SMILES
NC(CCSSCC[C@H](N)C(=O)O)C(=O)O- InChIKey
ZTVZLYBCZNMWCF-ZBHICJROSA-N- Molecular formula
- C8H16N2O4S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.05514934
Overview
L-Homocystine is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- (2S)-homocystine
- IUPAC
- 2-amino-4-[[(3S)-3-amino-3-carboxypropyl]disulfanyl]butanoic acid
- English name
- L-Homocystine
- Molecular formula
- C8H16N2O4S2
- Molecular weight
- 268.35
Names & synonyms
(2S)-homocystineSCHEMBL385396CHEBI:896984,4'-dithiobis-2-amino-L-ButyrateAKOS0159156794,4'-dithiobis-2-amino-L-Butyric acid[S-(R*,R*)]-4,4'-dithiobis-2-amino-Butanoate[S-(R*,R*)]-4,4'-dithiobis-2-amino-Butanoic acidQ27161892H-HoCys-OH(2S,2'S)-4,4'-Disulfanediylbis(2-aMinobutanoic acid)(H-HCY-OH)2
Show more names
(H-Hcy-OH)?H-L-HCystine(H-HOCYS-OH)2H-L-HOCYSTINE(H-Hcys-OH) 2L-Homocystine(H-HOMOCYS-OH)2
Database identifiers
- CAS
626-72-2- PubChem CID
- 69382
- ChEBI
CHEBI:89698
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Solubility0.2 mg/mL at 25 °C
Melting Point300 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 281 · 281-284 °C (dec.)(lit.)
- alpha
- 77 · 77 º (c=1% in 1N HCl)
- Boiling point
- 507.6 · 507.6±50.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 2 O · H2O : 5 mg/mL (18.63 mM; ultrasonic and adjust pH to 3 with H2O)DMSO : 1 mg/mL (3.73 mM; ultrasonic and adjust pH to 5 with HCl)
- form
- Powder
- pka
- 1.9 · 1.90±0.10(Predicted)
- color
- Off-white to light yellow
- optical activity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesIncreased levels lead to hyperhomocysteinemia; a cardiovascular risk factor in prediction of coronary heart disease as well as being associated with congenital birth defects, pregnancy complications and cancer.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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