(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one

C40H67NO9Si2 — CID 134844054

IUPAC(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CCC[C@]2(CC[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C40H67NO9Si2/c1-27(35(43)41-29(25-45-36(41)44)23-28-17-14-13-15-18-28)31-19-16-21-40(48-31)22-20-32(49-40)34(50-52(11,12)38(5,6)7)39(8)24-30(42)33(47-39)26-46-51(9,10)37(2,3)4/h13-15,17-18,27,29-34,42H,16,19-26H2,1-12H3/t27-,29-,30+,31+,32+,33-,34+,39-,40+/m1/s1
InChIKeyRCMLWPNCNKTQBW-KDSYEHCRSA-N
MW762.15 g/mol
LogP7.98
Rot. Bonds11

About (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 134844054) has the molecular formula C40H67NO9Si2 and a molecular weight of 762.15 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID134844054
Molecular FormulaC40H67NO9Si2
Molecular Weight762.15 g/mol
Exact Mass761.44
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CCC[C@]2(CC[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C40H67NO9Si2/c1-27(35(43)41-29(25-45-36(41)44)23-28-17-14-13-15-18-28)31-19-16-21-40(48-31)22-20-32(49-40)34(50-52(11,12)38(5,6)7)39(8)24-30(42)33(47-39)26-46-51(9,10)37(2,3)4/h13-15,17-18,27,29-34,42H,16,19-26H2,1-12H3/t27-,29-,30+,31+,32+,33-,34+,39-,40+/m1/s1
InChIKeyRCMLWPNCNKTQBW-KDSYEHCRSA-N
XLogP7.98
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.15
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
CID 101354502
(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
(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane
CID 161180827
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one
CID 54577487
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(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
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
CID 174060062
(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one
CID 11365094

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one (CID 134844054) is (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1CCC[C@]2(CC[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RCMLWPNCNKTQBW-KDSYEHCRSA-N. The full InChI is InChI=1S/C40H67NO9Si2/c1-27(35(43)41-29(25-45-36(41)44)23-28-17-14-13-15-18-28)31-19-16-21-40(48-31)22-20-32(49-40)34(50-52(11,12)38(5,6)7)39(8)24-30(42)33(47-39)26-46-51(9,10)37(2,3)4/h13-15,17-18,27,29-34,42H,16,19-26H2,1-12H3/t27-,29-,30+,31+,32+,33-,34+,39-,40+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 762.15 g/mol, XLogP of 7.98, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-[(2S,5S,9S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-methyloxolan-2-yl]methyl]-1,10-dioxaspiro[4.5]decan-9-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134844054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).