(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one

C28H47NO6Si — CID 11092579

IUPAC(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCO[C@]1(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C28H47NO6Si/c1-19(2)36(20(3)4,21(5)6)35-24-14-23(34-28(7,16-24)32-8)15-26(30)25-18-33-27(31)29(25)17-22-12-10-9-11-13-22/h9-13,19-21,23-26,30H,14-18H2,1-8H3/t23-,24-,25+,26-,28-/m0/s1
InChIKeyLMFFHIRWPCVRLL-HIBXFOCJSA-N
MW521.77 g/mol
LogP5.86
Rot. Bonds11

About (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one

(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 11092579) has the molecular formula C28H47NO6Si and a molecular weight of 521.77 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID11092579
Molecular FormulaC28H47NO6Si
Molecular Weight521.77 g/mol
Exact Mass521.32
IUPAC Name(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCO[C@]1(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C28H47NO6Si/c1-19(2)36(20(3)4,21(5)6)35-24-14-23(34-28(7,16-24)32-8)15-26(30)25-18-33-27(31)29(25)17-22-12-10-9-11-13-22/h9-13,19-21,23-26,30H,14-18H2,1-8H3/t23-,24-,25+,26-,28-/m0/s1
InChIKeyLMFFHIRWPCVRLL-HIBXFOCJSA-N
XLogP5.86
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.77
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 59254763
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-hydroxybut-3-enyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 16215756
(4S)-4-benzyl-3-[(2S,3R,6S,7S,8S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6,8-trimethyl-7-(oxan-2-yloxy)nonanoyl]-1,3-oxazolidin-2-one
CID 134863669
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one
CID 135032063
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one
CID 135032112
[(3S,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(1R)-1-phenylethyl]piperidin-3-yl] acetate
CID 138966023
(2R,3R)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(dibenzylamino)-3-(methoxymethoxy)propan-1-ol
CID 10393021
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 54114153
tert-butyl (2S,4R)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 57121560
(3'aR,4S,7'S)-3'-benzyl-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766071
tert-butyl (4R,5S)-4-benzyl-5-[1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 70239654
(4S,5S)-3-benzyl-4-[2-[(2R,5S)-3,4-dibutoxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-5-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 70859696

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one (CID 11092579) is (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one is CO[C@]1(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LMFFHIRWPCVRLL-HIBXFOCJSA-N. The full InChI is InChI=1S/C28H47NO6Si/c1-19(2)36(20(3)4,21(5)6)35-24-14-23(34-28(7,16-24)32-8)15-26(30)25-18-33-27(31)29(25)17-22-12-10-9-11-13-22/h9-13,19-21,23-26,30H,14-18H2,1-8H3/t23-,24-,25+,26-,28-/m0/s1.
What are the key properties of (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 521.77 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).