Phosphoramidic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester

HCID 64626

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Basic information

CAS: 135732-03-5
Standard SMILES: CCOP(=O)(NC12CC3CC(CC(C3)C1)C2)Oc1ccccc1OCCOCCOCCOc1ccccc1OP(=O)(NC12CC3CC(CC(C3)C1)C2)OCC
InChIKey: KSQCDOQUSHATIB-UHFFFAOYSA-N
Molecular formula: C42H62N2O10P2
Average molar mass: 816.9 g/mol
Monoisotopic mass: 816.38797017

Names & identifiers

Preferred name: Phosphoramidic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester
IUPAC: N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine

Names & synonyms

135732-03-52,2'-(Oxatriethylenedioxa)-di-(phenylethyl)-N-adamantylamidophosphatePhosphoramidic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl esterRefChem:370802DTXSID30929134({[(Ethane-1,2-diyl)bis(oxy)ethane-2,1-diyl]oxy}-2,1-phenylene) diethyl bis[N-(adamantan-1-yl)(phosphoramidate)]({[(Ethane-1,2-diyl)bis(oxy)ethane-2,1-diyl]oxy}-2,1-phenylene) diethyl bis[N-adamantan-1-yl(phosphoramidate)]

Database identifiers

CAS: 135732-03-5
PubChem CID: 64626
DTXSID: DTXSID30929134

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 23
Heavy atoms: 56
Formal charge: 0
Complexity: 1,190

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