[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane

C15H32F2N3O4PSi — CID 10549776

IUPAC[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](C)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C15H32F2N3O4PSi/c1-9-22-25(21,23-10-2)15(16,17)12(3)13(19-20-18)11-24-26(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyFGZWKSMCYVKETN-CHWSQXEVSA-N
MW415.49 g/mol
LogP6.18
Rot. Bonds11

About [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane

[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 10549776) has the molecular formula C15H32F2N3O4PSi and a molecular weight of 415.49 g/mol. Its IUPAC name is [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane
PubChem CID10549776
Molecular FormulaC15H32F2N3O4PSi
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](C)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C15H32F2N3O4PSi/c1-9-22-25(21,23-10-2)15(16,17)12(3)13(19-20-18)11-24-26(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyFGZWKSMCYVKETN-CHWSQXEVSA-N
XLogP6.18
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane (CID 10549776) is [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane is CCOP(=O)(OCC)C(F)(F)[C@H](C)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is FGZWKSMCYVKETN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H32F2N3O4PSi/c1-9-22-25(21,23-10-2)15(16,17)12(3)13(19-20-18)11-24-26(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane?
[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 415.49 g/mol, XLogP of 6.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10549776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).