(2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

C30H26O10 — CID 10347415

About (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 10347415) has the molecular formula C30H26O10 and a molecular weight of 546.53 g/mol. Its IUPAC name is (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 10347415
• Molecular Formula: C30H26O10
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.15
• IUPAC Name: (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cccc([C@H]2Oc3ccc([C@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)c(O)c3C[C@H]2O)c1
• InChI: InChI=1S/C30H26O10/c31-15-3-1-2-13(8-15)29-22(36)12-18-23(39-29)7-5-17(27(18)37)25-26-21(35)10-16(32)11-24(26)40-30(28(25)38)14-4-6-19(33)20(34)9-14/h1-11,22,25,28-38H,12H2/t22-,25+,28-,29-,30-/m1/s1
• InChIKey: HWZCMXJBQCINOX-CWGQGPMUSA-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 (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 10347415) is (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cccc([C@H]2Oc3ccc([C@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)c(O)c3C[C@H]2O)c1.

What is the InChIKey of (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is HWZCMXJBQCINOX-CWGQGPMUSA-N. The full InChI is InChI=1S/C30H26O10/c31-15-3-1-2-13(8-15)29-22(36)12-18-23(39-29)7-5-17(27(18)37)25-26-21(35)10-16(32)11-24(26)40-30(28(25)38)14-4-6-19(33)20(34)9-14/h1-11,22,25,28-38H,12H2/t22-,25+,28-,29-,30-/m1/s1.

What are the key properties of (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 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 (2R,3R,4S)-4-[(2R,3R)-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 10347415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).