AC1O3UAC
ethoxymethyl-[2-[[3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: L-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester|ethoxymethyl-[2-[[3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium|Ethyl N-(8,12-dihydroxy-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniadodec-8-en-12-ylidene)-L-alaninate|Ethyl N-(8,12-dihydroxy-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniadodec-8-en-12-ylidene)alaninate
| Molecular Formula | C13H24N2O5PS2+ |
|---|---|
| Molecular Weight | 383.08643 g/mol |
| LogP | 1.1465 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 383.08643 |
| Monoisotopic Mass | 383.08643 |
| Heavy Atoms | 23 |
| Complexity | 423.16907 |
Chemical Identifiers
| CAS Number | 68030-52-4 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)NCCC(=O)N[C@@H](C)C(=O)OCC |
Product Overview
AC1O3UAC (CAS 68030-52-4), with molecular formula C13H24N2O5PS2+ and molecular weight 383.08643 g/mol. IUPAC: ethoxymethyl-[2-[[3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
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