Dipropan-2-yl (3-methoxy-3-oxo-2-oxa-4-thia-7-aza-3lambda~5~-phosphanonan-9-yl)phosphonate

HCID 89138

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Basic information

CAS: 21988-66-9
Standard SMILES: COP(=O)(OC)SCCNCCP(=O)(OC(C)C)OC(C)C
InChIKey: OAGDLJXFQAALNK-UHFFFAOYSA-N
Molecular formula: C12H29NO6P2S
Average molar mass: 377.38 g/mol
Monoisotopic mass: 377.11908281

Names & identifiers

Preferred name: Dipropan-2-yl (3-methoxy-3-oxo-2-oxa-4-thia-7-aza-3lambda~5~-phosphanonan-9-yl)phosphonate
IUPAC: N-(2-dimethoxyphosphorylsulfanylethyl)-2-di(propan-2-yloxy)phosphorylethanamine
English name: Phosphorothioic acid S-[2-[diisopropoxyphosphinyl(ethyl)amino]ethyl]O,O-dimethyl ester
Molecular formula: C12H29NO6P2S
Molecular weight: 0

Names & synonyms

21988-66-9DTXSID50944586Dipropan-2-yl (3-methoxy-3-oxo-2-oxa-4-thia-7-aza-3lambda~5~-phosphanonan-9-yl)phosphonateRefChem:1083803DTXCID501372926BRN 3065312Phosphorothioic acid, O,O-dimethyl S-(O',O'-diisopropyl-N-ethylphosphoramido)ethyl esterPhosphoramidic acid, (N-(O',O'-dimethylphosphorothio)ethyl-N-ethyl)-, O,O'-diisopropyl esterPhosphorothioic acid S-[2-[diisopropoxyphosphinyl(ethyl)amino]ethyl]O,O-dimethyl esterDi(propan-2-yl) (3-methoxy-3-oxo-2-oxa-4-thia-7-aza-3lambda~5~-phosphanonan-9-yl)phosphonatePhosphorsaeure-diisopropylester-

Database identifiers

CAS: 21988-66-9
PubChem CID: 89138
DTXSID: DTXSID50944586

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 22
Formal charge: 0
Complexity: 372

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