Phosphoromorpholinothioic acid, O-methyl S-(O',O'-diethylphosphoramido)ethyl ester
Basic information
- CAS
21988-58-9- Standard SMILES
CCOP(=O)(NCCSP(=O)(OC)N1CCOCC1)OCC- InChIKey
AXKWCIGQVURTDC-UHFFFAOYSA-N- Molecular formula
- C11H26N2O6P2S
- Average molar mass
- 376.35 g/mol
- Monoisotopic mass
- 376.09868172
Names & identifiers
- Preferred name
- Phosphoromorpholinothioic acid, O-methyl S-(O',O'-diethylphosphoramido)ethyl ester
- IUPAC
- N-diethoxyphosphoryl-2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethanamine
- English name
- N-diethoxyphosphoryl-2-(methoxy-morpholin-4-yl-phosphoryl)sulfanyl-eth anamine
- Molecular formula
- C11H26N2O6P2S
- Molecular weight
- 0
Names & synonyms
21988-58-9O-Methyl S-(O',O'-diethylphosphoramido)ethyl phosphoromorpholinothioatePhosphoromorpholinothioic acid, O-methyl S-(O',O'-diethylphosphoramido)ethyl esterRefChem:371219DTXSID10944582N-diethoxyphosphoryl-2-(methoxy-morpholin-4-yl-phosphoryl)sulfanyl-eth anamineS-[2-(Diethoxyphosphinylamino)ethyl]O-methyl=morpholinophosphonothioate
Database identifiers
- CAS
21988-58-9- PubChem CID
- 89133
- DTXSID
DTXSID10944582- Nikkaji
- J50.449A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
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Related reactions
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Compound notes
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