3-(Hexadecyloxy)propyl hydrogen ((((S)-1-(4-(((4-methoxyphenyl)diphenylmethyl)amino)-2-oxopyrimidin-1(2H)-yl)-3-(trityloxy)propan-2-yl)oxy)methyl)phosphonate

HCID 165366166

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Basic information

CAS: 864068-46-2
Standard SMILES: CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc1=O
InChIKey: JUZSUKSHSOOHSG-PNVGIOEQSA-N
Molecular formula: C66H82N3O8P
Average molar mass: 1,076.3 g/mol
Monoisotopic mass: 1,075.58395358

Names & identifiers

Preferred name: 3-(Hexadecyloxy)propyl hydrogen ((((S)-1-(4-(((4-methoxyphenyl)diphenylmethyl)amino)-2-oxopyrimidin-1(2H)-yl)-3-(trityloxy)propan-2-yl)oxy)methyl)phosphonate
IUPAC: 3-hexadecoxypropoxy-[[(2S)-1-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-trityloxypropan-2-yl]oxymethyl]phosphinic acid

Names & synonyms

864068-46-23-(Hexadecyloxy)propyl hydrogen ((((S)-1-(4-(((4-methoxyphenyl)diphenylmethyl)amino)-2-oxopyrimidin-1(2H)-yl)-3-(trityloxy)propan-2-yl)oxy)methyl)phosphonateDTXSID801099026Phosphonic acid, [[(S)-1-[[4-[[(4-methoxyphenyl)diphenylmethyl]amino]-2-oxo-1(2H)-pyrimidinyl]methyl]-2-(triphenylmethoxy)ethoxy]methyl]-, mono[3-(hexadecyloxy)propyl] ester

Database identifiers

CAS: 864068-46-2
PubChem CID: 165366166
DTXSID: DTXSID801099026

Properties

Computed structural properties

XLogP: 15.1
Topological polar surface area: 128 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 37
Heavy atoms: 78
Formal charge: 0
Complexity: 1,660

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