[(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate

C25H35NO8Si — CID 11191365

About [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate

[(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate (PubChem CID 11191365) has the molecular formula C25H35NO8Si and a molecular weight of 505.64 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate
• PubChem CID: 11191365
• Molecular Formula: C25H35NO8Si
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.21
• IUPAC Name: [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate
• SMILES: C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C25H35NO8Si/c1-8-13-31-24-19(26-22(29)16-11-9-10-12-17(16)23(26)30)21(33-15(2)27)20(28)18(34-24)14-32-35(6,7)25(3,4)5/h8-12,18-21,24,28H,1,13-14H2,2-7H3/t18-,19-,20-,21-,24-/m1/s1
• InChIKey: JVPOPMHZGKCYFN-UNNUSUAFSA-N
• XLogP: 2.89
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate?

The IUPAC name of [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate (CID 11191365) is [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate.

What is the SMILES notation for [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate?

The canonical SMILES for [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate is C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1N1C(=O)c2ccccc2C1=O.

What is the InChIKey of [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate?

The InChIKey is JVPOPMHZGKCYFN-UNNUSUAFSA-N. The full InChI is InChI=1S/C25H35NO8Si/c1-8-13-31-24-19(26-22(29)16-11-9-10-12-17(16)23(26)30)21(33-15(2)27)20(28)18(34-24)14-32-35(6,7)25(3,4)5/h8-12,18-21,24,28H,1,13-14H2,2-7H3/t18-,19-,20-,21-,24-/m1/s1.

What are the key properties of [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate?

[(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate has a molecular weight of 505.64 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-prop-2-enoxyoxan-4-yl] acetate is sourced from PubChem (CID 11191365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).