(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

C36H47NO6Si — CID 102325351

IUPAC(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]([C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C36H47NO6Si/c1-25(23-43-44(36(4,5)6,30-18-12-8-13-19-30)31-20-14-9-15-21-31)32(38)26(2)33(39)27(3)34(40)37-29(24-42-35(37)41)22-28-16-10-7-11-17-28/h7-21,25-27,29,32-33,38-39H,22-24H2,1-6H3/t25-,26+,27-,29-,32+,33-/m1/s1
InChIKeyRVDZGHOZMFOFFM-GXEYQOLSSA-N
MW617.86 g/mol
LogP4.78
Rot. Bonds12

About (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 102325351) has the molecular formula C36H47NO6Si and a molecular weight of 617.86 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID102325351
Molecular FormulaC36H47NO6Si
Molecular Weight617.86 g/mol
Exact Mass617.32
IUPAC Name(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]([C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C36H47NO6Si/c1-25(23-43-44(36(4,5)6,30-18-12-8-13-19-30)31-20-14-9-15-21-31)32(38)26(2)33(39)27(3)34(40)37-29(24-42-35(37)41)22-28-16-10-7-11-17-28/h7-21,25-27,29,32-33,38-39H,22-24H2,1-6H3/t25-,26+,27-,29-,32+,33-/m1/s1
InChIKeyRVDZGHOZMFOFFM-GXEYQOLSSA-N
XLogP4.78
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.86
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(E,2R,3S)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11330400
(4S)-4-benzyl-3-[(Z,2S,3R)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11592251
(4R)-4-benzyl-3-[(2R,3S,4R,5S,6S)-8-bromo-3,5-dihydroxy-2,4,6-trimethylnon-8-enoyl]-1,3-oxazolidin-2-one
CID 11812668
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptanoyl]-1,3-oxazolidin-2-one
CID 12000541
(4R)-4-benzyl-3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 12018409
(4R)-4-benzyl-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(4S)-4-benzyl-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 15812717
(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 10908274
(4R)-4-benzyl-3-[(2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 91372516
tert-butyl (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoate
CID 10994868
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (CID 102325351) is (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is C[C@@H]([C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RVDZGHOZMFOFFM-GXEYQOLSSA-N. The full InChI is InChI=1S/C36H47NO6Si/c1-25(23-43-44(36(4,5)6,30-18-12-8-13-19-30)31-20-14-9-15-21-31)32(38)26(2)33(39)27(3)34(40)37-29(24-42-35(37)41)22-28-16-10-7-11-17-28/h7-21,25-27,29,32-33,38-39H,22-24H2,1-6H3/t25-,26+,27-,29-,32+,33-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 617.86 g/mol, XLogP of 4.78, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102325351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).