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

C30H26O10 — CID 142022323

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

(2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 142022323) has the molecular formula C30H26O10 and a molecular weight of 546.53 g/mol. Its IUPAC name is (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 142022323
• Molecular Formula: C30H26O10
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.15
• IUPAC Name: (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cccc([C@@H]2CCc3c(O)cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)C(O)C5)c3O2)c1
• InChI: InChI=1S/C30H26O10/c31-15-3-1-2-13(8-15)25-7-5-16-19(33)11-22(36)26(29(16)39-25)27-23(37)12-20(34)17-10-24(38)28(40-30(17)27)14-4-6-18(32)21(35)9-14/h1-4,6,8-9,11-12,24-25,28,31-38H,5,7,10H2/t24?,25-,28+/m0/s1
• InChIKey: UFFNYEDJDCWISA-WYBMKQAMSA-N
• XLogP: 4.40
• TPSA: 180.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

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

The IUPAC name of (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 142022323) is (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

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

The canonical SMILES for (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cccc([C@@H]2CCc3c(O)cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)C(O)C5)c3O2)c1.

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

The InChIKey is UFFNYEDJDCWISA-WYBMKQAMSA-N. The full InChI is InChI=1S/C30H26O10/c31-15-3-1-2-13(8-15)25-7-5-16-19(33)11-22(36)26(29(16)39-25)27-23(37)12-20(34)17-10-24(38)28(40-30(17)27)14-4-6-18(32)21(35)9-14/h1-4,6,8-9,11-12,24-25,28,31-38H,5,7,10H2/t24?,25-,28+/m0/s1.

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

(2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 546.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-8-[(2S)-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 142022323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).