[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane

C37H46NO2PSi — CID 11410807

IUPAC[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane
SMILESCC(C)[C@@H](C)C([Si](C)(C)C)[P@@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H46NO2PSi/c1-28(2)29(3)36(42(5,6)7)41(39)38(30(4)35(40-41)31-20-12-8-13-21-31)37(32-22-14-9-15-23-32,33-24-16-10-17-25-33)34-26-18-11-19-27-34/h8-30,35-36H,1-7H3/t29-,30+,35+,36?,41-/m1/s1
InChIKeyXXNZMYFERNDPJK-CADXKIHESA-N
MW595.84 g/mol
LogP10.17
Rot. Bonds9

About [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane

[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane (PubChem CID 11410807) has the molecular formula C37H46NO2PSi and a molecular weight of 595.84 g/mol. Its IUPAC name is [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane.

Molecular Properties

Compound Name[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane
PubChem CID11410807
Molecular FormulaC37H46NO2PSi
Molecular Weight595.84 g/mol
Exact Mass595.30
IUPAC Name[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane
SMILESCC(C)[C@@H](C)C([Si](C)(C)C)[P@@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H46NO2PSi/c1-28(2)29(3)36(42(5,6)7)41(39)38(30(4)35(40-41)31-20-12-8-13-21-31)37(32-22-14-9-15-23-32,33-24-16-10-17-25-33)34-26-18-11-19-27-34/h8-30,35-36H,1-7H3/t29-,30+,35+,36?,41-/m1/s1
InChIKeyXXNZMYFERNDPJK-CADXKIHESA-N
XLogP10.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.84
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(2R)-2,3,3-trimethyl-1-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]silane
CID 102375429
(3R)-3-[(2S,4R,5S)-3-tert-butyl-2-oxo-4,5-diphenyl-1,3,2λ5-oxazaphospholidin-2-yl]butan-2-one
CID 139063841
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
4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 90152202
(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 10756696
4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 71324526
(2R,4S,5R)-3,4-dimethyl-2-(5-methylhexa-1,3,4-trien-3-yl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 163075158
(3R,4S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1S)-2-[[(2S,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2λ5-oxazaphospholidin-2-yl]oxy]cyclohex-2-en-1-yl]azetidin-2-one
CID 10940455
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
CID 87794852
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 58445883

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane?
The IUPAC name of [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane (CID 11410807) is [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane.
What is the SMILES notation for [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane?
The canonical SMILES for [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane is CC(C)[C@@H](C)C([Si](C)(C)C)[P@@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane?
The InChIKey is XXNZMYFERNDPJK-CADXKIHESA-N. The full InChI is InChI=1S/C37H46NO2PSi/c1-28(2)29(3)36(42(5,6)7)41(39)38(30(4)35(40-41)31-20-12-8-13-21-31)37(32-22-14-9-15-23-32,33-24-16-10-17-25-33)34-26-18-11-19-27-34/h8-30,35-36H,1-7H3/t29-,30+,35+,36?,41-/m1/s1.
What are the key properties of [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane?
[(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane has a molecular weight of 595.84 g/mol, XLogP of 10.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dimethyl-1-[(2R,4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]-trimethylsilane is sourced from PubChem (CID 11410807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).