(2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane

C34H36O12 — CID 143805456

About (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane

(2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane (PubChem CID 143805456) has the molecular formula C34H36O12 and a molecular weight of 636.65 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane.

Molecular Properties

• Compound Name: (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane
• PubChem CID: 143805456
• Molecular Formula: C34H36O12
• Molecular Weight: 636.65 g/mol
• Exact Mass: 636.22
• IUPAC Name: (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane
• SMILES: CC.COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2c1c(OC)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)C(O)C2
• InChI: InChI=1S/C32H30O12.C2H6/c1-41-15-9-22(38)26-25(10-15)43-31(14-4-6-18(34)21(37)8-14)29(40)28(26)27-24(42-2)12-19(35)16-11-23(39)30(44-32(16)27)13-3-5-17(33)20(36)7-13;1-2/h3-10,12,23,28-31,33-40H,11H2,1-2H3;1-2H3/t23?,28?,29-,30-,31-;/m1./s1
• InChIKey: CNMRHZGNHOWCPH-BREIPUETSA-N
• XLogP: 4.63
• TPSA: 198.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	636.65
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	8
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)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane?

The IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane (CID 143805456) is (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane.

What is the SMILES notation for (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane?

The canonical SMILES for (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane is CC.COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2c1c(OC)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)C(O)C2.

What is the InChIKey of (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane?

The InChIKey is CNMRHZGNHOWCPH-BREIPUETSA-N. The full InChI is InChI=1S/C32H30O12.C2H6/c1-41-15-9-22(38)26-25(10-15)43-31(14-4-6-18(34)21(37)8-14)29(40)28(26)27-24(42-2)12-19(35)16-11-23(39)30(44-32(16)27)13-3-5-17(33)20(36)7-13;1-2/h3-10,12,23,28-31,33-40H,11H2,1-2H3;1-2H3/t23?,28?,29-,30-,31-;/m1./s1.

What are the key properties of (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane?

(2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane has a molecular weight of 636.65 g/mol, XLogP of 4.63, 5 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol;ethane is sourced from PubChem (CID 143805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).