[(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C30H26O14 — CID 102241060

About [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 102241060) has the molecular formula C30H26O14 and a molecular weight of 610.52 g/mol. Its IUPAC name is [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

• Compound Name: [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• PubChem CID: 102241060
• Molecular Formula: C30H26O14
• Molecular Weight: 610.52 g/mol
• Exact Mass: 610.13
• IUPAC Name: [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• SMILES: O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(37)41-12-20(36)28-25(39)26(40)30(43-28)44-29-24(38)23-19(35)10-16(32)11-21(23)42-27(29)14-4-7-17(33)18(34)9-14/h1-11,20,25-26,28,30-36,39-40H,12H2/b8-3+/t20-,25-,26-,28-,30+/m1/s1
• InChIKey: VXKFQHOJMYQBDG-GFXGOGLSSA-N
• XLogP: 1.43
• TPSA: 236.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	610.52
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?

The IUPAC name of [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 102241060) is [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.

What is the SMILES notation for [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?

The canonical SMILES for [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1O.

What is the InChIKey of [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?

The InChIKey is VXKFQHOJMYQBDG-GFXGOGLSSA-N. The full InChI is InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(37)41-12-20(36)28-25(39)26(40)30(43-28)44-29-24(38)23-19(35)10-16(32)11-21(23)42-27(29)14-4-7-17(33)18(34)9-14/h1-11,20,25-26,28,30-36,39-40H,12H2/b8-3+/t20-,25-,26-,28-,30+/m1/s1.

What are the key properties of [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?

[(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 610.52 g/mol, XLogP of 1.43, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(2R,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 102241060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).