Basic information
- CAS
2998-83-6- Standard SMILES
N[C@H](CSCC[C@H](N)C(=O)O)C(=O)O- InChIKey
ILRYLPWNYFXEMH-CRCLSJGQSA-N- Molecular formula
- C7H14N2O4S
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.06742811
Names & identifiers
- Preferred name
- D-allocystathionine
- IUPAC
- (2S)-2-amino-4-[(2S)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
- English name
- D-Cystathionine
- Molecular formula
- C7H14N2O4S
- Molecular weight
- 222.26
Names & synonyms
D-allocystathionine2998-83-6D-Cystathioninebmse000033(2S)-2-amino-4-[(2S)-2-amino-2-carboxyethyl]sulfanylbutanoic acid(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acidAC1L97V5(R)-S-(2-Amino-2-carboxyethyl)-D-homocysteineSCHEMBL14421003DTXSID10331433ZINC01529407(2S)-2-AMINO-4-{[(2S)-2-AMINO-2-CARBOXYETHYL]SULFANYL}BUTANOIC ACID
Show more names
CYSTATHIONINE, D-(2R,2'R)-cystathionineD-Homocysteine, S-(2-amino-2-carboxyethyl)-, (R)- (9CI)
AKOS030241233FA17287S-[(2S)-2-Amino-2-carboxyethyl]-L-homocysteine
Database identifiers
- CAS
2998-83-6- PubChem CID
- 439698
- DTXSID
DTXSID10331433- Nikkaji
- J22.555J
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 260 °C · >260°C (dec.)
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Aqueous Acid (Slightly), Aqueous Base (Slightly)
- pka
- 2.08 · 2.08±0.10(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Suppliers10 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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