(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

C30H26O12 — CID 163001838

About (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol (PubChem CID 163001838) has the molecular formula C30H26O12 and a molecular weight of 578.53 g/mol. Its IUPAC name is (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
• PubChem CID: 163001838
• Molecular Formula: C30H26O12
• Molecular Weight: 578.53 g/mol
• Exact Mass: 578.14
• IUPAC Name: (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
• SMILES: Oc1ccc([C@H]2Oc3c(ccc(O)c3O)[C@H](c3cc4c(c(O)c3O)O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@@H]4O)[C@H]2O)cc1
• InChI: InChI=1S/C30H26O12/c31-13-4-1-11(2-5-13)27-24(38)20(14-6-8-18(33)23(37)29(14)41-27)15-10-16-22(36)25(39)28(42-30(16)26(40)21(15)35)12-3-7-17(32)19(34)9-12/h1-10,20,22,24-25,27-28,31-40H/t20-,22-,24-,25-,27-,28-/m1/s1
• InChIKey: JTEDEUOFSUSIID-OEDJTYOTSA-N
• XLogP: 2.78
• TPSA: 220.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	578.53
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	10
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,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?

The IUPAC name of (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol (CID 163001838) is (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol.

What is the SMILES notation for (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?

The canonical SMILES for (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol is Oc1ccc([C@H]2Oc3c(ccc(O)c3O)[C@H](c3cc4c(c(O)c3O)O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@@H]4O)[C@H]2O)cc1.

What is the InChIKey of (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?

The InChIKey is JTEDEUOFSUSIID-OEDJTYOTSA-N. The full InChI is InChI=1S/C30H26O12/c31-13-4-1-11(2-5-13)27-24(38)20(14-6-8-18(33)23(37)29(14)41-27)15-10-16-22(36)25(39)28(42-30(16)26(40)21(15)35)12-3-7-17(32)19(34)9-12/h1-10,20,22,24-25,27-28,31-40H/t20-,22-,24-,25-,27-,28-/m1/s1.

What are the key properties of (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?

(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol has a molecular weight of 578.53 g/mol, XLogP of 2.78, 3 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol is sourced from PubChem (CID 163001838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).