[(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate

C48H53ClO8 — CID 142746897

About [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate

[(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 142746897) has the molecular formula C48H53ClO8 and a molecular weight of 793.40 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 142746897
• Molecular Formula: C48H53ClO8
• Molecular Weight: 793.40 g/mol
• Exact Mass: 792.34
• IUPAC Name: [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: CCOc1ccc(Cc2cc([C@@H]3O[C@H](COC(=O)COC(C)(C)C)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)cc1
• InChI: InChI=1S/C48H53ClO8/c1-5-51-40-24-21-34(22-25-40)27-39-28-38(23-26-41(39)49)44-46(54-30-36-17-11-7-12-18-36)47(55-31-37-19-13-8-14-20-37)45(53-29-35-15-9-6-10-16-35)42(57-44)32-52-43(50)33-56-48(2,3)4/h6-26,28,42,44-47H,5,27,29-33H2,1-4H3/t42-,44+,45-,46?,47+/m1/s1
• InChIKey: FVCUCRAFAPUWKJ-FQHHUDHMSA-N
• XLogP: 9.88
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.40
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate (CID 142746897) is [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate is CCOc1ccc(Cc2cc([C@@H]3O[C@H](COC(=O)COC(C)(C)C)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)cc1.

What is the InChIKey of [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is FVCUCRAFAPUWKJ-FQHHUDHMSA-N. The full InChI is InChI=1S/C48H53ClO8/c1-5-51-40-24-21-34(22-25-40)27-39-28-38(23-26-41(39)49)44-46(54-30-36-17-11-7-12-18-36)47(55-31-37-19-13-8-14-20-37)45(53-29-35-15-9-6-10-16-35)42(57-44)32-52-43(50)33-56-48(2,3)4/h6-26,28,42,44-47H,5,27,29-33H2,1-4H3/t42-,44+,45-,46?,47+/m1/s1.

What are the key properties of [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate?

[(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 793.40 g/mol, XLogP of 9.88, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5S,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 142746897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).