(2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H34O11 — CID 162833092

About (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162833092) has the molecular formula C27H34O11 and a molecular weight of 534.56 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 162833092
• Molecular Formula: C27H34O11
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.21
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: COc1cc([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1OC
• InChI: InChI=1S/C27H34O11/c1-32-18-8-14(9-19(33-2)26(18)34-3)25-17-12-35-24(16(17)11-36-25)13-4-6-15(7-5-13)37-27-23(31)22(30)21(29)20(10-28)38-27/h4-9,16-17,20-25,27-31H,10-12H2,1-3H3/t16-,17+,20-,21-,22+,23-,24-,25+,27+/m1/s1
• InChIKey: SEQLPAPOIQAANX-BDPSQDFTSA-N
• XLogP: 0.97
• TPSA: 145.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.56
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162833092) is (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is COc1cc([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1OC.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is SEQLPAPOIQAANX-BDPSQDFTSA-N. The full InChI is InChI=1S/C27H34O11/c1-32-18-8-14(9-19(33-2)26(18)34-3)25-17-12-35-24(16(17)11-36-25)13-4-6-15(7-5-13)37-27-23(31)22(30)21(29)20(10-28)38-27/h4-9,16-17,20-25,27-31H,10-12H2,1-3H3/t16-,17+,20-,21-,22+,23-,24-,25+,27+/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 534.56 g/mol, XLogP of 0.97, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[4-[(3S,3aS,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162833092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).