(2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H32O14 — CID 162967668

About (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162967668) has the molecular formula C26H32O14 and a molecular weight of 568.53 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 162967668
• Molecular Formula: C26H32O14
• Molecular Weight: 568.53 g/mol
• Exact Mass: 568.18
• IUPAC Name: (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)cc(O)cc3C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C26H32O14/c27-9-16-18(31)20(33)22(35)25(38-16)37-10-17-19(32)21(34)23(36)26(39-17)40-24-12(7-14(29)8-15(24)30)4-1-11-2-5-13(28)6-3-11/h1-8,16-23,25-36H,9-10H2/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26+/m1/s1
• InChIKey: HEZGCCGUQRUGNI-NSJPBYEBSA-N
• XLogP: -2.02
• TPSA: 239.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	568.53
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162967668) is (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)cc(O)cc3C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is HEZGCCGUQRUGNI-NSJPBYEBSA-N. The full InChI is InChI=1S/C26H32O14/c27-9-16-18(31)20(33)22(35)25(38-16)37-10-17-19(32)21(34)23(36)26(39-17)40-24-12(7-14(29)8-15(24)30)4-1-11-2-5-13(28)6-3-11/h1-8,16-23,25-36H,9-10H2/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26+/m1/s1.

What are the key properties of (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 568.53 g/mol, XLogP of -2.02, 8 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162967668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).