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

C38H48NO2PSi — CID 102375429

IUPACtrimethyl-[(2R)-2,3,3-trimethyl-1-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]silane
SMILESC[C@H]1[C@@H](c2ccccc2)OP(=O)(C([C@H](C)C(C)(C)C)[Si](C)(C)C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48NO2PSi/c1-29(37(3,4)5)36(43(6,7)8)42(40)39(30(2)35(41-42)31-21-13-9-14-22-31)38(32-23-15-10-16-24-32,33-25-17-11-18-26-33)34-27-19-12-20-28-34/h9-30,35-36H,1-8H3/t29-,30-,35-,36?,42?/m0/s1
InChIKeyKYLCBSARAYHIEV-VFLCRPARSA-N
MW609.87 g/mol
LogP10.56
Rot. Bonds8

About 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

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 (PubChem CID 102375429) has the molecular formula C38H48NO2PSi and a molecular weight of 609.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[(2R)-2,3,3-trimethyl-1-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]silane
PubChem CID102375429
Molecular FormulaC38H48NO2PSi
Molecular Weight609.87 g/mol
Exact Mass609.32
IUPAC Nametrimethyl-[(2R)-2,3,3-trimethyl-1-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-trityl-1,3,2λ5-oxazaphospholidin-2-yl]butyl]silane
SMILESC[C@H]1[C@@H](c2ccccc2)OP(=O)(C([C@H](C)C(C)(C)C)[Si](C)(C)C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48NO2PSi/c1-29(37(3,4)5)36(43(6,7)8)42(40)39(30(2)35(41-42)31-21-13-9-14-22-31)38(32-23-15-10-16-24-32,33-25-17-11-18-26-33)34-27-19-12-20-28-34/h9-30,35-36H,1-8H3/t29-,30-,35-,36?,42?/m0/s1
InChIKeyKYLCBSARAYHIEV-VFLCRPARSA-N
XLogP10.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.87
LogP ≤ 510.56
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

[(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
(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
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136
(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)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
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
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
CID 87794852

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1[C@@H](c2ccccc2)OP(=O)(C([C@H](C)C(C)(C)C)[Si](C)(C)C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is KYLCBSARAYHIEV-VFLCRPARSA-N. The full InChI is InChI=1S/C38H48NO2PSi/c1-29(37(3,4)5)36(43(6,7)8)42(40)39(30(2)35(41-42)31-21-13-9-14-22-31)38(32-23-15-10-16-24-32,33-25-17-11-18-26-33)34-27-19-12-20-28-34/h9-30,35-36H,1-8H3/t29-,30-,35-,36?,42?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 609.87 g/mol, XLogP of 10.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102375429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).