Basic information
- CAS
1069-29-0- Standard SMILES
COC(=O)C(N)CSSCC(N)C(=O)OC- InChIKey
NXPNPYNCKSWEHA-UHFFFAOYSA-N- Molecular formula
- C8H16N2O4S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.05514934
Overview
See also: L-Cystine, 1,1'-dimethyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
- IUPAC
- methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
- English name
- Dimethyl cystinate
- Molecular formula
- C8H16N2O4S2
- Molecular weight
- 268.36
Names & synonyms
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoateNSC638592Dimethyl cystine3h-cystine dimethyl esterSCHEMBL111171DTXSID80910173NXPNPYNCKSWEHA-UHFFFAOYSA-NL-(-)-CYSTINE DIMETHYL ESTERPD196660NS00013595methyl 2-amino-3-[(2-amino-3-methoxy-3-oxo-propyl)disulfanyl]propanoateDimethyl cystinate
Show more names
L-Cystine dimethylcystine dimethyl esterL-Cystine-O,O-dimethyl esterL-Cystine, 1,1'-diMethyl ester3,3'-Dithiodi(L-alanine methyl) ester3,3'-Dithiobis(L-alanine methyl) ester3,3'-Dithiobis[(2R)-2-aminopropionic acid methyl] ester
Database identifiers
- CAS
1069-29-0- PubChem CID
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 136 · 136-138 °C
- Boiling point
- 375.5 · 375.5±42.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.33(Predicted)
- Cosmetics Ingredients Functions
- ANTISTATICSKIN CONDITIONING
- LogP
- 1.61 · 1.610 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 23 D129R · VEO23D129R
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
BOC Sciences[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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