(2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane

C39H56O10 — CID 10908591

About (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane

(2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane (PubChem CID 10908591) has the molecular formula C39H56O10 and a molecular weight of 684.87 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
• PubChem CID: 10908591
• Molecular Formula: C39H56O10
• Molecular Weight: 684.87 g/mol
• Exact Mass: 684.39
• IUPAC Name: (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
• SMILES: C=CCO[C@@H]1O[C@H](COCCCOC2CCCCO2)[C@@H](OCCCOC2CCCCO2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C39H56O10/c1-2-21-46-39-38(48-29-32-17-7-4-8-18-32)37(47-28-31-15-5-3-6-16-31)36(45-27-14-26-44-35-20-10-12-24-42-35)33(49-39)30-40-22-13-25-43-34-19-9-11-23-41-34/h2-8,15-18,33-39H,1,9-14,19-30H2/t33-,34?,35?,36-,37+,38-,39-/m1/s1
• InChIKey: CSVFQMQMFMGZQF-QXXMFAKASA-N
• XLogP: 6.35
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.87
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane?

The IUPAC name of (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane (CID 10908591) is (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane.

What is the SMILES notation for (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane?

The canonical SMILES for (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane is C=CCO[C@@H]1O[C@H](COCCCOC2CCCCO2)[C@@H](OCCCOC2CCCCO2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane?

The InChIKey is CSVFQMQMFMGZQF-QXXMFAKASA-N. The full InChI is InChI=1S/C39H56O10/c1-2-21-46-39-38(48-29-32-17-7-4-8-18-32)37(47-28-31-15-5-3-6-16-31)36(45-27-14-26-44-35-20-10-12-24-42-35)33(49-39)30-40-22-13-25-43-34-19-9-11-23-41-34/h2-8,15-18,33-39H,1,9-14,19-30H2/t33-,34?,35?,36-,37+,38-,39-/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane?

(2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane has a molecular weight of 684.87 g/mol, XLogP of 6.35, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane is sourced from PubChem (CID 10908591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).