(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one

C25H31NO6Si — CID 56648925

IUPAC(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C25H31NO6Si/c1-25(2,3)33(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(26(4)24(29)31-20)23-19(27)15-21(28)32-23/h5-14,19-20,22-23,27H,15-16H2,1-4H3/t19-,20-,22-,23+/m1/s1
InChIKeyNUQXLLGJIFNJEO-PRTQVNTJSA-N
MW469.61 g/mol
LogP2.06
Rot. Bonds6

About (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 56648925) has the molecular formula C25H31NO6Si and a molecular weight of 469.61 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID56648925
Molecular FormulaC25H31NO6Si
Molecular Weight469.61 g/mol
Exact Mass469.19
IUPAC Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C25H31NO6Si/c1-25(2,3)33(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(26(4)24(29)31-20)23-19(27)15-21(28)32-23/h5-14,19-20,22-23,27H,15-16H2,1-4H3/t19-,20-,22-,23+/m1/s1
InChIKeyNUQXLLGJIFNJEO-PRTQVNTJSA-N
XLogP2.06
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10507267
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10650695
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1,2-dicarboxylate
CID 69869540
ditert-butyl (2R,4S,5R)-5-[3-[tert-butyl(diphenyl)silyl]oxy-2-ethoxy-1-hydroxypropyl]-4-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate
CID 142058970
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 10839786
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 11800911
tert-butyl (3R,3aR,6aR)-3-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-oxo-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-2-carboxylate
CID 56648828
(3R,3aR,6aR)-3-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,3a,6,6a-tetrahydro-2H-furo[2,3-d][1,2]oxazol-5-one
CID 56648829
(3R,3aR,6aR)-3-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2-methyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 56648830
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 100970004
tert-butyl (3R,3aR,6aR)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-2-carboxylate
CID 101543485
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 101941640

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one (CID 56648925) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1[C@H]1OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is NUQXLLGJIFNJEO-PRTQVNTJSA-N. The full InChI is InChI=1S/C25H31NO6Si/c1-25(2,3)33(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(26(4)24(29)31-20)23-19(27)15-21(28)32-23/h5-14,19-20,22-23,27H,15-16H2,1-4H3/t19-,20-,22-,23+/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one?
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 469.61 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56648925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).