(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol

C30H26O10 — CID 14540821

About (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol

(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 14540821) has the molecular formula C30H26O10 and a molecular weight of 546.53 g/mol. Its IUPAC name is (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

• Compound Name: (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
• PubChem CID: 14540821
• Molecular Formula: C30H26O10
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.15
• IUPAC Name: (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol
• SMILES: Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1cc2c(cc1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2
• InChI: InChI=1S/C30H26O10/c31-16-3-4-17-26(11-16)40-30(14-2-6-20(33)23(36)9-14)28(38)27(17)18-7-15-10-24(37)29(39-25(15)12-21(18)34)13-1-5-19(32)22(35)8-13/h1-9,11-12,24,27-38H,10H2/t24-,27-,28-,29-,30-/m0/s1
• InChIKey: VHQVNGHQNYUUBC-QALZTRBASA-N
• XLogP: 3.58
• 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	3.58
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 (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol?

The IUPAC name of (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol (CID 14540821) is (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol.

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

The canonical SMILES for (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol is Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1cc2c(cc1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2.

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

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

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

(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 546.53 g/mol, XLogP of 3.58, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 14540821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).