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

C30H26O11 — CID 100945227

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

(2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 100945227) has the molecular formula C30H26O11 and a molecular weight of 562.53 g/mol. Its IUPAC name is (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 100945227
• Molecular Formula: C30H26O11
• Molecular Weight: 562.53 g/mol
• Exact Mass: 562.15
• IUPAC Name: (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1O)[C@H](O)C2
• InChI: InChI=1S/C30H26O11/c31-13-2-3-14-16(10-24(40-25(14)8-13)12-1-5-18(32)21(35)7-12)26-22(36)11-20(34)17-9-23(37)29(41-30(17)26)15-4-6-19(33)28(39)27(15)38/h1-8,11,16,23-24,29,31-39H,9-10H2/t16-,23-,24+,29-/m1/s1
• InChIKey: GWLNSXZOCXWKOI-SNRASZFESA-N
• XLogP: 4.02
• TPSA: 200.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	562.53
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

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

The IUPAC name of (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 100945227) is (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

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

The canonical SMILES for (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1O)[C@H](O)C2.

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

The InChIKey is GWLNSXZOCXWKOI-SNRASZFESA-N. The full InChI is InChI=1S/C30H26O11/c31-13-2-3-14-16(10-24(40-25(14)8-13)12-1-5-18(32)21(35)7-12)26-22(36)11-20(34)17-9-23(37)29(41-30(17)26)15-4-6-19(33)28(39)27(15)38/h1-8,11,16,23-24,29,31-39H,9-10H2/t16-,23-,24+,29-/m1/s1.

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

(2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 562.53 g/mol, XLogP of 4.02, 3 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-8-[(2S,4R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 100945227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).