(2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane

C30H33FO5 — CID 11454686

About (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane

(2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane (PubChem CID 11454686) has the molecular formula C30H33FO5 and a molecular weight of 492.59 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane
• PubChem CID: 11454686
• Molecular Formula: C30H33FO5
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.23
• IUPAC Name: (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane
• SMILES: C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1F
• InChI: InChI=1S/C30H33FO5/c1-2-18-33-29-28(35-21-25-16-10-5-11-17-25)27(34-20-24-14-8-4-9-15-24)26(36-30(29)31)22-32-19-23-12-6-3-7-13-23/h2-17,26-30H,1,18-22H2/t26-,27-,28+,29-,30-/m1/s1
• InChIKey: WRRSSGTZMHIZBI-CMPUJJQDSA-N
• XLogP: 5.64
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane?

The IUPAC name of (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane (CID 11454686) is (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane.

What is the SMILES notation for (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane?

The canonical SMILES for (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane is C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1F.

What is the InChIKey of (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane?

The InChIKey is WRRSSGTZMHIZBI-CMPUJJQDSA-N. The full InChI is InChI=1S/C30H33FO5/c1-2-18-33-29-28(35-21-25-16-10-5-11-17-25)27(34-20-24-14-8-4-9-15-24)26(36-30(29)31)22-32-19-23-12-6-3-7-13-23/h2-17,26-30H,1,18-22H2/t26-,27-,28+,29-,30-/m1/s1.

What are the key properties of (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane?

(2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane has a molecular weight of 492.59 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane is sourced from PubChem (CID 11454686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).