Basic information
- CAS
4938-00-5- Standard SMILES
O=C(O)CCSCC(=O)O- InChIKey
MLLYDWHLZFTQBY-UHFFFAOYSA-N- Molecular formula
- C5H8O4S
- Average molar mass
- 164.18 g/mol
- Monoisotopic mass
- 164.01432974
Overview
Danosteine is a small molecule drug. Danosteine has a monoisotopic molecular weight of 164.01 Da.
Names & identifiers
- Preferred name
- Danosteine
- IUPAC
- 3-(carboxymethylsulfanyl)propanoic acid
- English name
- danosteine
- Molecular formula
- C5H8O4S
- Molecular weight
- 164.18
Names & synonyms
Danosteine4938-00-5DanosteinaDanosteine [INN]3-thiahexanedioic acid3-(carboxymethylsulfanyl)propanoic acid3-[(carboxymethyl)sulfanyl]propanoic acid3-[(Carboxymethyl)thio]propanoic acid481GSD6F7Q3-((carboxymethyl)thio)propanoic acid3-((Carboxymethyl)thio)propionic acidDanosteinum
Show more names
3-ThiaadipicacidPropanoic acid, 3-[(carboxymethyl)thio]-
3-ThiaadipinsaeureDanosteinum [Latin]Danosteina [Spanish]UNII-481GSD6F7QEINECS 225-578-3SCHEMBL1578704CHEMBL2104680DTXSID70197779
Database identifiers
- CAS
4938-00-5- PubChem CID
- 71205
- DTXSID
DTXSID70197779- ChEMBL
CHEMBL2104680- UNII
- 481GSD6F7Q
- EC Number
- 225-578-3
- Nikkaji
- J33.128G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 93.6 · 93.6-94 °C
- Boiling point
- 389.2 · 389.2±27.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.10(Predicted)
- FDA UNII
- 481 GSD6F7Q · 481GSD6F7Q
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
2 records
Compound notes
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