(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

C31H55NO6Si2 — CID 11365373

IUPAC(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO6Si2/c1-22(20-37-39(9,10)30(3,4)5)27(38-40(11,12)31(6,7)8)19-26(33)23(2)28(34)32-25(21-36-29(32)35)18-24-16-14-13-15-17-24/h13-17,22-23,25-27,33H,18-21H2,1-12H3/t22-,23-,25-,26+,27+/m1/s1
InChIKeyRHQARKIECJVPRJ-LAWNVLIOSA-N
MW593.95 g/mol
LogP7.01
Rot. Bonds12

About (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 11365373) has the molecular formula C31H55NO6Si2 and a molecular weight of 593.95 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID11365373
Molecular FormulaC31H55NO6Si2
Molecular Weight593.95 g/mol
Exact Mass593.36
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO6Si2/c1-22(20-37-39(9,10)30(3,4)5)27(38-40(11,12)31(6,7)8)19-26(33)23(2)28(34)32-25(21-36-29(32)35)18-24-16-14-13-15-17-24/h13-17,22-23,25-27,33H,18-21H2,1-12H3/t22-,23-,25-,26+,27+/m1/s1
InChIKeyRHQARKIECJVPRJ-LAWNVLIOSA-N
XLogP7.01
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.95
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(R)-tert-butyl 4-((1R,2R)-3-((R)-4-benzyl-2-oxooxazolidin-3-yl)-1-hydroxy-2-methyl-3-oxopropyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11953594
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (CID 11365373) is (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RHQARKIECJVPRJ-LAWNVLIOSA-N. The full InChI is InChI=1S/C31H55NO6Si2/c1-22(20-37-39(9,10)30(3,4)5)27(38-40(11,12)31(6,7)8)19-26(33)23(2)28(34)32-25(21-36-29(32)35)18-24-16-14-13-15-17-24/h13-17,22-23,25-27,33H,18-21H2,1-12H3/t22-,23-,25-,26+,27+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 593.95 g/mol, XLogP of 7.01, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11365373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).