Basic information
- CAS
73175-10-7- Standard SMILES
CCOC(=O)[C@H](NC(=O)CSP(=O)(OCC)OCC)C(C)C- InChIKey
XRTYAJJFXDKTML-GFCCVEGCSA-N- Molecular formula
- C13H26NO6PS
- Average molar mass
- 355.39 g/mol
- Monoisotopic mass
- 355.12184572
Names & identifiers
- Preferred name
- Valine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorothioate, D-
- IUPAC
- ethyl (2R)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methylbutanoate
Names & synonyms
Valine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorothioate, D-73175-10-7D-Valine, N-(((diethoxyphosphinyl)thio)acetyl)-, ethyl esterDTXSID70223426BRN 2393004(S)-N-(Mercaptoacetyl)valine ethyl ester S-ester with O,O-diethyl phosphorothioateRefChem:388322DTXCID70145917Ethyl N-{[(diethoxyphosphoryl)sulfanyl]acetyl}-D-valinate
Database identifiers
- CAS
73175-10-7- PubChem CID
- 198545
- DTXSID
DTXSID70223426
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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