(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one

C32H57NO6Si2 — CID 11621395

IUPAC(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H57NO6Si2/c1-22(2)41(23(3)4,24(5)6)39-28(25(7)20-38-40(12,13)32(8,9)10)29(36-11)30(34)33-27(21-37-31(33)35)19-26-17-15-14-16-18-26/h14-18,22-25,27-29H,19-21H2,1-13H3/t25-,27-,28+,29-/m1/s1
InChIKeyQVHVOGAVGBSNLD-HVQBEUSNSA-N
MW607.98 g/mol
LogP7.81
Rot. Bonds14

About (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11621395) has the molecular formula C32H57NO6Si2 and a molecular weight of 607.98 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one
PubChem CID11621395
Molecular FormulaC32H57NO6Si2
Molecular Weight607.98 g/mol
Exact Mass607.37
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H57NO6Si2/c1-22(2)41(23(3)4,24(5)6)39-28(25(7)20-38-40(12,13)32(8,9)10)29(36-11)30(34)33-27(21-37-31(33)35)19-26-17-15-14-16-18-26/h14-18,22-25,27-29H,19-21H2,1-13H3/t25-,27-,28+,29-/m1/s1
InChIKeyQVHVOGAVGBSNLD-HVQBEUSNSA-N
XLogP7.81
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.98
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one (CID 11621395) is (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one is CO[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QVHVOGAVGBSNLD-HVQBEUSNSA-N. The full InChI is InChI=1S/C32H57NO6Si2/c1-22(2)41(23(3)4,24(5)6)39-28(25(7)20-38-40(12,13)32(8,9)10)29(36-11)30(34)33-27(21-37-31(33)35)19-26-17-15-14-16-18-26/h14-18,22-25,27-29H,19-21H2,1-13H3/t25-,27-,28+,29-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 607.98 g/mol, XLogP of 7.81, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyl-3-tri(propan-2-yl)silyloxypentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11621395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).