(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C34H32O12 — CID 102299943

About (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 102299943) has the molecular formula C34H32O12 and a molecular weight of 632.62 g/mol. Its IUPAC name is (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 102299943
• Molecular Formula: C34H32O12
• Molecular Weight: 632.62 g/mol
• Exact Mass: 632.19
• IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: C[C@@H]1C[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3
• InChI: InChI=1S/C34H32O12/c1-13-6-27(30-24(41)11-20(37)16-9-25(42)32(46-34(16)30)15-3-5-19(36)23(40)8-15)44-28-12-21(38)17-10-26(43)31(45-33(17)29(13)28)14-2-4-18(35)22(39)7-14/h2-5,7-8,11-13,25-27,31-32,35-43H,6,9-10H2,1H3/t13-,25+,26+,27+,31-,32-/m1/s1
• InChIKey: FXJBFBFATYRIFZ-YRJDUJJFSA-N
• XLogP: 4.33
• TPSA: 209.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	632.62
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

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,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 102299943) is (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is C[C@@H]1C[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3.

What is the InChIKey of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is FXJBFBFATYRIFZ-YRJDUJJFSA-N. The full InChI is InChI=1S/C34H32O12/c1-13-6-27(30-24(41)11-20(37)16-9-25(42)32(46-34(16)30)15-3-5-19(36)23(40)8-15)44-28-12-21(38)17-10-26(43)31(45-33(17)29(13)28)14-2-4-18(35)22(39)7-14/h2-5,7-8,11-13,25-27,31-32,35-43H,6,9-10H2,1H3/t13-,25+,26+,27+,31-,32-/m1/s1.

What are the key properties of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 632.62 g/mol, XLogP of 4.33, 3 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,8S,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-methyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 102299943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).