(2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one

C31H34O6 — CID 10940064

About (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one

(2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one (PubChem CID 10940064) has the molecular formula C31H34O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one.

Molecular Properties

• Compound Name: (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one
• PubChem CID: 10940064
• Molecular Formula: C31H34O6
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.24
• IUPAC Name: (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one
• SMILES: CCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C[C@@H]1C1(C)OCCO1
• InChI: InChI=1S/C31H34O6/c1-3-33-29-26(30(2)34-19-20-35-30)21-27(32)28(37-29)22-36-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26,28-29H,3,19-22H2,1-2H3/t26-,28+,29-/m0/s1
• InChIKey: QTKKCFMALSZIPC-MKYKQAKUSA-N
• XLogP: 5.09
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one?

The IUPAC name of (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one (CID 10940064) is (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one.

What is the SMILES notation for (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one?

The canonical SMILES for (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one is CCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C[C@@H]1C1(C)OCCO1.

What is the InChIKey of (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one?

The InChIKey is QTKKCFMALSZIPC-MKYKQAKUSA-N. The full InChI is InChI=1S/C31H34O6/c1-3-33-29-26(30(2)34-19-20-35-30)21-27(32)28(37-29)22-36-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26,28-29H,3,19-22H2,1-2H3/t26-,28+,29-/m0/s1.

What are the key properties of (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one?

(2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one has a molecular weight of 502.61 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,6S)-6-ethoxy-5-(2-methyl-1,3-dioxolan-2-yl)-2-(trityloxymethyl)oxan-3-one is sourced from PubChem (CID 10940064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).