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

C30H26O12 — CID 10099701

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

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 10099701) has the molecular formula C30H26O12 and a molecular weight of 578.53 g/mol. Its IUPAC name is (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 10099701
• Molecular Formula: C30H26O12
• Molecular Weight: 578.53 g/mol
• Exact Mass: 578.14
• IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)cc1-c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3)[C@@H](O)C2
• InChI: InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2/t24-,25-,28+,29+/m0/s1
• InChIKey: NFKUCWGVXFRSRX-LYWOHPCHSA-N
• XLogP: 3.07
• TPSA: 220.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	578.53
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 10099701) is (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol.

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

The canonical SMILES for (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)cc1-c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3)[C@@H](O)C2.

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

The InChIKey is NFKUCWGVXFRSRX-LYWOHPCHSA-N. The full InChI is InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2/t24-,25-,28+,29+/m0/s1.

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

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 578.53 g/mol, XLogP of 3.07, 3 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 10099701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).