(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal

C32H43NO7Si — CID 134880367

IUPAC(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
SMILESC[C@H]1[C@H]([C@H](C=O)C(=O)N2CCOC2=O)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H43NO7Si/c1-22(21-38-41(31(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25)27-23(2)28(40-32(6,7)39-27)26(20-34)29(35)33-18-19-37-30(33)36/h8-17,20,22-23,26-28H,18-19,21H2,1-7H3/t22-,23-,26+,27-,28-/m1/s1
InChIKeyOLAZLDKTOVGSBX-UXWAOUJDSA-N
MW581.78 g/mol
LogP4.15
Rot. Bonds9

About (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal

(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal (PubChem CID 134880367) has the molecular formula C32H43NO7Si and a molecular weight of 581.78 g/mol. Its IUPAC name is (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal.

Molecular Properties

Compound Name(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
PubChem CID134880367
Molecular FormulaC32H43NO7Si
Molecular Weight581.78 g/mol
Exact Mass581.28
IUPAC Name(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
SMILESC[C@H]1[C@H]([C@H](C=O)C(=O)N2CCOC2=O)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H43NO7Si/c1-22(21-38-41(31(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25)27-23(2)28(40-32(6,7)39-27)26(20-34)29(35)33-18-19-37-30(33)36/h8-17,20,22-23,26-28H,18-19,21H2,1-7H3/t22-,23-,26+,27-,28-/m1/s1
InChIKeyOLAZLDKTOVGSBX-UXWAOUJDSA-N
XLogP4.15
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.78
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The IUPAC name of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal (CID 134880367) is (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal.
What is the SMILES notation for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The canonical SMILES for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal is C[C@H]1[C@H]([C@H](C=O)C(=O)N2CCOC2=O)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
The InChIKey is OLAZLDKTOVGSBX-UXWAOUJDSA-N. The full InChI is InChI=1S/C32H43NO7Si/c1-22(21-38-41(31(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25)27-23(2)28(40-32(6,7)39-27)26(20-34)29(35)33-18-19-37-30(33)36/h8-17,20,22-23,26-28H,18-19,21H2,1-7H3/t22-,23-,26+,27-,28-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal?
(2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal has a molecular weight of 581.78 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanal is sourced from PubChem (CID 134880367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).