(2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C30H26O8 — CID 14281803

About (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 14281803) has the molecular formula C30H26O8 and a molecular weight of 514.53 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 14281803
• Molecular Formula: C30H26O8
• Molecular Weight: 514.53 g/mol
• Exact Mass: 514.16
• IUPAC Name: (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2
• InChI: InChI=1S/C30H26O8/c31-17-11-20(33)24-23(12-17)37-29(16-9-5-2-6-10-16)27(36)26(24)25-21(34)14-19(32)18-13-22(35)28(38-30(18)25)15-7-3-1-4-8-15/h1-12,14,22,26-29,31-36H,13H2/t22-,26-,27-,28-,29-/m1/s1
• InChIKey: SJLPAECDZQQZCR-NFJBMHMQSA-N
• XLogP: 4.17
• TPSA: 139.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.53
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 14281803) is (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2.

What is the InChIKey of (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is SJLPAECDZQQZCR-NFJBMHMQSA-N. The full InChI is InChI=1S/C30H26O8/c31-17-11-20(33)24-23(12-17)37-29(16-9-5-2-6-10-16)27(36)26(24)25-21(34)14-19(32)18-13-22(35)28(38-30(18)25)15-7-3-1-4-8-15/h1-12,14,22,26-29,31-36H,13H2/t22-,26-,27-,28-,29-/m1/s1.

What are the key properties of (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 514.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 14281803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).