(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol

C37H40O6 — CID 11273229

About (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol

(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol (PubChem CID 11273229) has the molecular formula C37H40O6 and a molecular weight of 580.72 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
• PubChem CID: 11273229
• Molecular Formula: C37H40O6
• Molecular Weight: 580.72 g/mol
• Exact Mass: 580.28
• IUPAC Name: (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
• SMILES: C=CCC1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C37H40O6/c1-2-23-37(38)36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-39-24-29-15-7-3-8-16-29/h2-22,33-36,38H,1,23-28H2/t33-,34-,35+,36-,37?/m1/s1
• InChIKey: PDXZGVJAFXZLPJ-YGMGGQQPSA-N
• XLogP: 6.62
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.72
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol?

The IUPAC name of (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol (CID 11273229) is (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol.

What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol?

The canonical SMILES for (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol is C=CCC1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol?

The InChIKey is PDXZGVJAFXZLPJ-YGMGGQQPSA-N. The full InChI is InChI=1S/C37H40O6/c1-2-23-37(38)36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-39-24-29-15-7-3-8-16-29/h2-22,33-36,38H,1,23-28H2/t33-,34-,35+,36-,37?/m1/s1.

What are the key properties of (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol?

(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol has a molecular weight of 580.72 g/mol, XLogP of 6.62, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol is sourced from PubChem (CID 11273229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).