2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol

C51H42O18 — CID 143283323

About 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol

2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol (PubChem CID 143283323) has the molecular formula C51H42O18 and a molecular weight of 942.88 g/mol. Its IUPAC name is 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol.

Molecular Properties

• Compound Name: 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol
• PubChem CID: 143283323
• Molecular Formula: C51H42O18
• Molecular Weight: 942.88 g/mol
• Exact Mass: 942.24
• IUPAC Name: 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol
• SMILES: Oc1cc(O)c([C@@H]2C[C@@H](c3ccc(O)c(O)c3)Oc3c([C@@H]4C[C@@H](c5ccc(O)c(O)c5)Oc5c4c(O)cc(O)c5[C@@H]4C[C@@H](c5ccc(O)c(O)c5)Oc5cc(O)cc(O)c54)c(O)cc(O)c32)c(O)c1
• InChI: InChI=1S/C51H42O18/c52-22-10-33(60)44(34(61)11-22)24-14-41(20-2-5-28(55)31(58)8-20)68-50-46(24)36(63)17-38(65)48(50)26-16-42(21-3-6-29(56)32(59)9-21)69-51-47(37(64)18-39(66)49(26)51)25-15-40(19-1-4-27(54)30(57)7-19)67-43-13-23(53)12-35(62)45(25)43/h1-13,17-18,24-26,40-42,52-66H,14-16H2/t24-,25+,26-,40-,41-,42-/m0/s1
• InChIKey: FIPCCMAWEFSDKF-DKMBTMJJSA-N
• XLogP: 8.24
• TPSA: 331.14 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	942.88
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol?

The IUPAC name of 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol (CID 143283323) is 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol.

What is the SMILES notation for 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol?

The canonical SMILES for 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol is Oc1cc(O)c([C@@H]2C[C@@H](c3ccc(O)c(O)c3)Oc3c([C@@H]4C[C@@H](c5ccc(O)c(O)c5)Oc5c4c(O)cc(O)c5[C@@H]4C[C@@H](c5ccc(O)c(O)c5)Oc5cc(O)cc(O)c54)c(O)cc(O)c32)c(O)c1.

What is the InChIKey of 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol?

The InChIKey is FIPCCMAWEFSDKF-DKMBTMJJSA-N. The full InChI is InChI=1S/C51H42O18/c52-22-10-33(60)44(34(61)11-22)24-14-41(20-2-5-28(55)31(58)8-20)68-50-46(24)36(63)17-38(65)48(50)26-16-42(21-3-6-29(56)32(59)9-21)69-51-47(37(64)18-39(66)49(26)51)25-15-40(19-1-4-27(54)30(57)7-19)67-43-13-23(53)12-35(62)45(25)43/h1-13,17-18,24-26,40-42,52-66H,14-16H2/t24-,25+,26-,40-,41-,42-/m0/s1.

What are the key properties of 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol?

2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol has a molecular weight of 942.88 g/mol, XLogP of 8.24, 6 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,4S)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol is sourced from PubChem (CID 143283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).