Dipropan-2-yl (7-methoxy-7-oxo-8-oxa-6-thia-3-aza-7lambda~5~-phosphaundecan-1-yl)phosphonate
Basic information
- CAS
21988-67-0- Standard SMILES
CCCOP(=O)(OC)SCCNCCP(=O)(OC(C)C)OC(C)C- InChIKey
IDOJJLWJNNKBPE-UHFFFAOYSA-N- Molecular formula
- C14H33NO6P2S
- Average molar mass
- 405.43 g/mol
- Monoisotopic mass
- 405.15038294
Names & identifiers
- Preferred name
- Dipropan-2-yl (7-methoxy-7-oxo-8-oxa-6-thia-3-aza-7lambda~5~-phosphaundecan-1-yl)phosphonate
- IUPAC
- 2-di(propan-2-yloxy)phosphoryl-N-[2-[methoxy(propoxy)phosphoryl]sulfanylethyl]ethanamine
- English name
- Phosphorothioic acid S-[2-[diisopropoxyphosphinyl(ethyl)amino]ethyl]O-methyl O-propyl ester
- Molecular formula
- C14H33NO6P2S
- Molecular weight
- 405.43
Names & synonyms
21988-67-0DTXSID10944587Dipropan-2-yl (7-methoxy-7-oxo-8-oxa-6-thia-3-aza-7lambda~5~-phosphaundecan-1-yl)phosphonateRefChem:1083804DTXCID201372927Phosphorothioic acid, O-methyl O-propyl S-(O',O'-diisopropyl-N-ethylphosphoramido)ethyl esterPhosphorothioic acid S-[2-[diisopropoxyphosphinyl(ethyl)amino]ethyl]O-methyl O-propyl esterDi(propan-2-yl) (7-methoxy-7-oxo-8-oxa-6-thia-3-aza-7lambda~5~-phosphaundecan-1-yl)phosphonatePhosphorothioic acid, S-[2-[[bis(1-methylethoxy)phosphinyl]ethylamino]ethyl] O-methyl O-propyl ester (9CI)
Database identifiers
- CAS
21988-67-0- PubChem CID
- 89139
- DTXSID
DTXSID10944587
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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