(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one

C23H39NO8Si — CID 134971254

IUPAC(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCOC[C@]1(CO[Si](C)(C)C(C)(C)C)NC(=O)O[C@H]1[C@H](O)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C23H39NO8Si/c1-22(2,3)33(5,6)31-15-23(14-30-16-28-4)20(32-21(27)24-23)19(26)18(25)13-29-12-17-10-8-7-9-11-17/h7-11,18-20,25-26H,12-16H2,1-6H3,(H,24,27)/t18-,19+,20-,23+/m0/s1
InChIKeyVLOKGQYIGNOUFX-FAKFISEUSA-N
MW485.65 g/mol
LogP2.41
Rot. Bonds13

About (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one

(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 134971254) has the molecular formula C23H39NO8Si and a molecular weight of 485.65 g/mol. Its IUPAC name is (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID134971254
Molecular FormulaC23H39NO8Si
Molecular Weight485.65 g/mol
Exact Mass485.24
IUPAC Name(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCOC[C@]1(CO[Si](C)(C)C(C)(C)C)NC(=O)O[C@H]1[C@H](O)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C23H39NO8Si/c1-22(2,3)33(5,6)31-15-23(14-30-16-28-4)20(32-21(27)24-23)19(26)18(25)13-29-12-17-10-8-7-9-11-17/h7-11,18-20,25-26H,12-16H2,1-6H3,(H,24,27)/t18-,19+,20-,23+/m0/s1
InChIKeyVLOKGQYIGNOUFX-FAKFISEUSA-N
XLogP2.41
TPSA115.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

benzyl N-[(2R,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-1-phenylmethoxybutan-2-yl]carbamate
CID 134849402
(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 134941814
CbzNH(-2d)Hex-O-TBDMS
CID 135018811
CbzNH(-2d)[Bn(-6)]Hex3Ac-O-TBDMS
CID 135018814
benzyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloxan-4-yl]carbamate
CID 162412383
benzyl (2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S,2S)-2-hydroxy-1-(methoxymethoxy)but-3-enyl]-4-(methoxymethoxy)pyrrolidine-1-carboxylate
CID 164682216
benzyl (2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-2-hydroxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)pyrrolidine-1-carboxylate
CID 164682221
[(1R,2R,3S)-5-hydroxy-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)pentan-3-yl] acetate
CID 9982831
2,2,2-trichloroethyl N-[(2R,3R,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-2-[(2R)-3-phenylmethoxy-2-(2,2,2-trichloroethoxycarbonylamino)propoxy]oxan-3-yl]carbamate
CID 21113450
benzyl N-[[(3aS,4S,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-cyanomethyl]carbamate
CID 21356479
[deuterio(phenyl)methyl] N-[[(3aS,4S,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-cyanomethyl]carbamate
CID 56618834
benzyl N-[[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-methyloxan-2-yl]methyl]carbamate
CID 58520886

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one (CID 134971254) is (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one is COCOC[C@]1(CO[Si](C)(C)C(C)(C)C)NC(=O)O[C@H]1[C@H](O)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VLOKGQYIGNOUFX-FAKFISEUSA-N. The full InChI is InChI=1S/C23H39NO8Si/c1-22(2,3)33(5,6)31-15-23(14-30-16-28-4)20(32-21(27)24-23)19(26)18(25)13-29-12-17-10-8-7-9-11-17/h7-11,18-20,25-26H,12-16H2,1-6H3,(H,24,27)/t18-,19+,20-,23+/m0/s1.
What are the key properties of (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one?
(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 485.65 g/mol, XLogP of 2.41, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134971254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).