[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate

C71H60O10 — CID 87678495

About [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate

[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate (PubChem CID 87678495) has the molecular formula C71H60O10 and a molecular weight of 1073.25 g/mol. Its IUPAC name is [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate.

Molecular Properties

• Compound Name: [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate
• PubChem CID: 87678495
• Molecular Formula: C71H60O10
• Molecular Weight: 1073.25 g/mol
• Exact Mass: 1072.42
• IUPAC Name: [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate
• SMILES: O=C(O[C@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
• InChI: InChI=1S/C71H60O10/c72-71(59-36-60(73-44-51-22-8-1-9-23-51)40-61(37-59)74-45-52-24-10-2-11-25-52)81-68-43-63-64(76-47-54-28-14-4-15-29-54)41-62(75-46-53-26-12-3-13-27-53)42-65(63)80-69(68)58-38-66(77-48-55-30-16-5-17-31-55)70(79-50-57-34-20-7-21-35-57)67(39-58)78-49-56-32-18-6-19-33-56/h1-42,68-69H,43-50H2/t68-,69+/m0/s1
• InChIKey: LSELVJVNZUJKDC-JPFIOEMMSA-N
• XLogP: 15.64
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.25
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate?

The IUPAC name of [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate (CID 87678495) is [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate.

What is the SMILES notation for [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate?

The canonical SMILES for [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate is O=C(O[C@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.

What is the InChIKey of [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate?

The InChIKey is LSELVJVNZUJKDC-JPFIOEMMSA-N. The full InChI is InChI=1S/C71H60O10/c72-71(59-36-60(73-44-51-22-8-1-9-23-51)40-61(37-59)74-45-52-24-10-2-11-25-52)81-68-43-63-64(76-47-54-28-14-4-15-29-54)41-62(75-46-53-26-12-3-13-27-53)42-65(63)80-69(68)58-38-66(77-48-55-30-16-5-17-31-55)70(79-50-57-34-20-7-21-35-57)67(39-58)78-49-56-32-18-6-19-33-56/h1-42,68-69H,43-50H2/t68-,69+/m0/s1.

What are the key properties of [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate?

[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate has a molecular weight of 1073.25 g/mol, XLogP of 15.64, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate is sourced from PubChem (CID 87678495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).