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

C30H26O10 — CID 162973256

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

(2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 162973256) has the molecular formula C30H26O10 and a molecular weight of 546.53 g/mol. Its IUPAC name is (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

• Compound Name: (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
• PubChem CID: 162973256
• Molecular Formula: C30H26O10
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.15
• IUPAC Name: (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
• SMILES: Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)cc1[C@@H]1c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@H]1O)[C@@H](O)C2
• InChI: InChI=1S/C30H26O10/c31-15-3-1-13-7-24(37)30(39-25(13)9-15)19-12-23(36)22(35)11-18(19)27-17-5-4-16(32)10-26(17)40-29(28(27)38)14-2-6-20(33)21(34)8-14/h1-6,8-12,24,27-38H,7H2/t24-,27-,28-,29+,30+/m0/s1
• InChIKey: UHENZUJQITYIQS-AGIHYNTBSA-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,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?

The IUPAC name of (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (CID 162973256) is (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.

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

The canonical SMILES for (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)cc1[C@@H]1c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@H]1O)[C@@H](O)C2.

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

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

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

(2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-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 (2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 162973256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).