[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane

C23H36N3O4PSi2 — CID 23314916

IUPAC[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)OP(=N[Si](C)(C)C)([C@@H](O[Si](C)(C)C)c2ccccc2[N+](=O)[O-])N1C
InChIInChI=1S/C23H36N3O4PSi2/c1-18-22(19-14-10-9-11-15-19)29-31(25(18)2,24-32(3,4)5)23(30-33(6,7)8)20-16-12-13-17-21(20)26(27)28/h9-18,22-23H,1-8H3/t18-,22-,23+,31?/m0/s1
InChIKeyYMIVDEWYQBSBFF-QSBRZZCBSA-N
MW505.70 g/mol
LogP7.40
Rot. Bonds7

About [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane

[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane (PubChem CID 23314916) has the molecular formula C23H36N3O4PSi2 and a molecular weight of 505.70 g/mol. Its IUPAC name is [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane.

Molecular Properties

Compound Name[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
PubChem CID23314916
Molecular FormulaC23H36N3O4PSi2
Molecular Weight505.70 g/mol
Exact Mass505.20
IUPAC Name[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)OP(=N[Si](C)(C)C)([C@@H](O[Si](C)(C)C)c2ccccc2[N+](=O)[O-])N1C
InChIInChI=1S/C23H36N3O4PSi2/c1-18-22(19-14-10-9-11-15-19)29-31(25(18)2,24-32(3,4)5)23(30-33(6,7)8)20-16-12-13-17-21(20)26(27)28/h9-18,22-23H,1-8H3/t18-,22-,23+,31?/m0/s1
InChIKeyYMIVDEWYQBSBFF-QSBRZZCBSA-N
XLogP7.40
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10367657
[[(2S,4S,5R)-3,4-dimethyl-2-[(S)-naphthalen-2-yl(trimethylsilyloxy)methyl]-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10255788
N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine
CID 10743266
(2R,3R)-2-methyl-1-(2-nitrophenyl)sulfanyl-3-phenylaziridine
CID 12729317
diphenylphosphanyl-(2-nitrophenyl)methanol
CID 91174471
(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
CID 131529509
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
CID 60808344
[(4S)-5,5-dimethyl-2-oxido-4-phenyl-1,3,2-dioxaphosphinan-2-ium-2-yl]-(2-nitrophenyl)methanol
CID 102180508
2-(2-nitrophenyl)propanedioic acid
CID 18413218
1-(1-methoxy-2-methylpropyl)-2-nitrobenzene
CID 173058022

Frequently Asked Questions

What is the IUPAC name of [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The IUPAC name of [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane (CID 23314916) is [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane.
What is the SMILES notation for [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The canonical SMILES for [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane is C[C@H]1[C@@H](c2ccccc2)OP(=N[Si](C)(C)C)([C@@H](O[Si](C)(C)C)c2ccccc2[N+](=O)[O-])N1C.
What is the InChIKey of [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The InChIKey is YMIVDEWYQBSBFF-QSBRZZCBSA-N. The full InChI is InChI=1S/C23H36N3O4PSi2/c1-18-22(19-14-10-9-11-15-19)29-31(25(18)2,24-32(3,4)5)23(30-33(6,7)8)20-16-12-13-17-21(20)26(27)28/h9-18,22-23H,1-8H3/t18-,22-,23+,31?/m0/s1.
What are the key properties of [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane has a molecular weight of 505.70 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane is sourced from PubChem (CID 23314916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).