1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione

C28H57NO6Si3 — CID 11060980

IUPAC1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](N2C(=O)CCC2=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO6Si3/c1-26(2,3)36(10,11)32-19-21-25(35-38(14,15)28(7,8)9)20(34-37(12,13)27(4,5)6)18-24(33-21)29-22(30)16-17-23(29)31/h20-21,24-25H,16-19H2,1-15H3/t20-,21-,24+,25+/m1/s1
InChIKeyDXOJKISMFODKDF-ZLSIYFNSSA-N
MW588.02 g/mol
LogP7.05
Rot. Bonds8

About 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione

1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione (PubChem CID 11060980) has the molecular formula C28H57NO6Si3 and a molecular weight of 588.02 g/mol. Its IUPAC name is 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
PubChem CID11060980
Molecular FormulaC28H57NO6Si3
Molecular Weight588.02 g/mol
Exact Mass587.35
IUPAC Name1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](N2C(=O)CCC2=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO6Si3/c1-26(2,3)36(10,11)32-19-21-25(35-38(14,15)28(7,8)9)20(34-37(12,13)27(4,5)6)18-24(33-21)29-22(30)16-17-23(29)31/h20-21,24-25H,16-19H2,1-15H3/t20-,21-,24+,25+/m1/s1
InChIKeyDXOJKISMFODKDF-ZLSIYFNSSA-N
XLogP7.05
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.02
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione (CID 11060980) is 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](N2C(=O)CCC2=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is DXOJKISMFODKDF-ZLSIYFNSSA-N. The full InChI is InChI=1S/C28H57NO6Si3/c1-26(2,3)36(10,11)32-19-21-25(35-38(14,15)28(7,8)9)20(34-37(12,13)27(4,5)6)18-24(33-21)29-22(30)16-17-23(29)31/h20-21,24-25H,16-19H2,1-15H3/t20-,21-,24+,25+/m1/s1.
What are the key properties of 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione?
1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 588.02 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11060980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).