(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C36H36O17 — CID 162975096

About (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 162975096) has the molecular formula C36H36O17 and a molecular weight of 740.67 g/mol. Its IUPAC name is (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 162975096
• Molecular Formula: C36H36O17
• Molecular Weight: 740.67 g/mol
• Exact Mass: 740.20
• IUPAC Name: (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: OC[C@H]1O[C@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)C(O)[C@H]1O
• InChI: InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28+,30+,31?,32-,33+,34-,36-/m1/s1
• InChIKey: VRCSTDIDMJHJBX-ABWQFDGZSA-N
• XLogP: 0.51
• TPSA: 310.91 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	740.67
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	17

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)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 162975096) is (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is OC[C@H]1O[C@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)C(O)[C@H]1O.

What is the InChIKey of (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is VRCSTDIDMJHJBX-ABWQFDGZSA-N. The full InChI is InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28+,30+,31?,32-,33+,34-,36-/m1/s1.

What are the key properties of (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 740.67 g/mol, XLogP of 0.51, 5 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 162975096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).