(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

C27H27ClO4 — CID 53253826

About (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 53253826) has the molecular formula C27H27ClO4 and a molecular weight of 450.96 g/mol. Its IUPAC name is (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

• Compound Name: (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
• PubChem CID: 53253826
• Molecular Formula: C27H27ClO4
• Molecular Weight: 450.96 g/mol
• Exact Mass: 450.16
• IUPAC Name: (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
• SMILES: Clc1cccc(CO[C@@H]2C=C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)c1
• InChI: InChI=1S/C27H27ClO4/c28-24-13-7-12-23(16-24)19-31-27-15-14-25(30-18-22-10-5-2-6-11-22)26(32-27)20-29-17-21-8-3-1-4-9-21/h1-16,25-27H,17-20H2/t25-,26+,27-/m0/s1
• InChIKey: GLFFYBZMUWZJFF-VJGNERBWSA-N
• XLogP: 5.94
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.96
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?

The IUPAC name of (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (CID 53253826) is (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.

What is the SMILES notation for (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?

The canonical SMILES for (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is Clc1cccc(CO[C@@H]2C=C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)c1.

What is the InChIKey of (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?

The InChIKey is GLFFYBZMUWZJFF-VJGNERBWSA-N. The full InChI is InChI=1S/C27H27ClO4/c28-24-13-7-12-23(16-24)19-31-27-15-14-25(30-18-22-10-5-2-6-11-22)26(32-27)20-29-17-21-8-3-1-4-9-21/h1-16,25-27H,17-20H2/t25-,26+,27-/m0/s1.

What are the key properties of (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?

(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 450.96 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 53253826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).