(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane

C37H40O6 — CID 11330690

About (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane

(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane (PubChem CID 11330690) has the molecular formula C37H40O6 and a molecular weight of 580.72 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
• PubChem CID: 11330690
• Molecular Formula: C37H40O6
• Molecular Weight: 580.72 g/mol
• Exact Mass: 580.28
• IUPAC Name: (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
• SMILES: C=C(C)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C37H40O6/c1-28(2)42-37-36(41-26-32-21-13-6-14-22-32)35(40-25-31-19-11-5-12-20-31)34(39-24-30-17-9-4-10-18-30)33(43-37)27-38-23-29-15-7-3-8-16-29/h3-22,33-37H,1,23-27H2,2H3/t33-,34-,35+,36-,37+/m1/s1
• InChIKey: WDFOSQZERHEEHW-MANRWTMFSA-N
• XLogP: 7.23
• TPSA: 55.38 Ų
• 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	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane?

The IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane (CID 11330690) is (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane.

What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane?

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

What is the InChIKey of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane?

The InChIKey is WDFOSQZERHEEHW-MANRWTMFSA-N. The full InChI is InChI=1S/C37H40O6/c1-28(2)42-37-36(41-26-32-21-13-6-14-22-32)35(40-25-31-19-11-5-12-20-31)34(39-24-30-17-9-4-10-18-30)33(43-37)27-38-23-29-15-7-3-8-16-29/h3-22,33-37H,1,23-27H2,2H3/t33-,34-,35+,36-,37+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane?

(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane has a molecular weight of 580.72 g/mol, XLogP of 7.23, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane is sourced from PubChem (CID 11330690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).