(2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane

C36H37Br2ClO6 — CID 91534808

About (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane

(2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane (PubChem CID 91534808) has the molecular formula C36H37Br2ClO6 and a molecular weight of 760.95 g/mol. Its IUPAC name is (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane.

Molecular Properties

• Compound Name: (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane
• PubChem CID: 91534808
• Molecular Formula: C36H37Br2ClO6
• Molecular Weight: 760.95 g/mol
• Exact Mass: 758.06
• IUPAC Name: (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane
• SMILES: COc1ccc(COC2[C@H](C)O[C@H](COCc3ccc(Br)cc3)[C@H](OCc3ccc(Cl)cc3)[C@@H]2OCc2ccccc2Br)cc1
• InChI: InChI=1S/C36H37Br2ClO6/c1-24-34(42-20-27-11-17-31(40-2)18-12-27)36(44-22-28-5-3-4-6-32(28)38)35(43-21-26-9-15-30(39)16-10-26)33(45-24)23-41-19-25-7-13-29(37)14-8-25/h3-18,24,33-36H,19-23H2,1-2H3/t24-,33+,34?,35-,36+/m0/s1
• InChIKey: BGCLWAHCWTXRFM-DCONZLJCSA-N
• XLogP: 8.93
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.95
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane?

The IUPAC name of (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane (CID 91534808) is (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane.

What is the SMILES notation for (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane?

The canonical SMILES for (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane is COc1ccc(COC2[C@H](C)O[C@H](COCc3ccc(Br)cc3)[C@H](OCc3ccc(Cl)cc3)[C@@H]2OCc2ccccc2Br)cc1.

What is the InChIKey of (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane?

The InChIKey is BGCLWAHCWTXRFM-DCONZLJCSA-N. The full InChI is InChI=1S/C36H37Br2ClO6/c1-24-34(42-20-27-11-17-31(40-2)18-12-27)36(44-22-28-5-3-4-6-32(28)38)35(43-21-26-9-15-30(39)16-10-26)33(45-24)23-41-19-25-7-13-29(37)14-8-25/h3-18,24,33-36H,19-23H2,1-2H3/t24-,33+,34?,35-,36+/m0/s1.

What are the key properties of (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane?

(2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane has a molecular weight of 760.95 g/mol, XLogP of 8.93, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,6S)-4-[(2-bromophenyl)methoxy]-2-[(4-bromophenyl)methoxymethyl]-3-[(4-chlorophenyl)methoxy]-5-[(4-methoxyphenyl)methoxy]-6-methyloxane is sourced from PubChem (CID 91534808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).