(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol

C21H34O11 — CID 18663669

About (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol

(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol (PubChem CID 18663669) has the molecular formula C21H34O11 and a molecular weight of 462.49 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol
• PubChem CID: 18663669
• Molecular Formula: C21H34O11
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.21
• IUPAC Name: (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol
• SMILES: OC[C@@H](OCC1CO1)[C@@H](OCC1CO1)[C@H](OCC1CO1)[C@H](COCC1CO1)OCC1CO1
• InChI: InChI=1S/C21H34O11/c22-1-18(29-8-14-4-25-14)20(31-10-16-6-27-16)21(32-11-17-7-28-17)19(30-9-15-5-26-15)12-23-2-13-3-24-13/h13-22H,1-12H2/t13?,14?,15?,16?,17?,18-,19+,20-,21-/m1/s1
• InChIKey: CSYYRGWVZYLTRV-REWMQHIASA-N
• XLogP: -1.47
• TPSA: 129.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	-1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol?

The IUPAC name of (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol (CID 18663669) is (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol.

What is the SMILES notation for (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol?

The canonical SMILES for (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol is OC[C@@H](OCC1CO1)[C@@H](OCC1CO1)[C@H](OCC1CO1)[C@H](COCC1CO1)OCC1CO1.

What is the InChIKey of (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol?

The InChIKey is CSYYRGWVZYLTRV-REWMQHIASA-N. The full InChI is InChI=1S/C21H34O11/c22-1-18(29-8-14-4-25-14)20(31-10-16-6-27-16)21(32-11-17-7-28-17)19(30-9-15-5-26-15)12-23-2-13-3-24-13/h13-22H,1-12H2/t13?,14?,15?,16?,17?,18-,19+,20-,21-/m1/s1.

What are the key properties of (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol?

(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol has a molecular weight of 462.49 g/mol, XLogP of -1.47, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol is sourced from PubChem (CID 18663669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).