(2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

C26H34O8 — CID 129175902

About (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

(2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 129175902) has the molecular formula C26H34O8 and a molecular weight of 474.55 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 129175902
• Molecular Formula: C26H34O8
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.23
• IUPAC Name: (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: COc1cc(C2c3cc(C)c(C)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
• InChI: InChI=1S/C26H34O8/c1-13-6-16-8-17(10-27)19(11-33-26-25(31)24(30)21(29)12-34-26)23(18(16)7-14(13)2)15-4-5-20(28)22(9-15)32-3/h4-7,9,17,19,21,23-31H,8,10-12H2,1-3H3/t17-,19-,21-,23?,24+,25-,26-/m1/s1
• InChIKey: LNNNAJQKTDVSCQ-JBQLOVBRSA-N
• XLogP: 1.39
• TPSA: 128.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol (CID 129175902) is (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol is COc1cc(C2c3cc(C)c(C)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O.

What is the InChIKey of (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is LNNNAJQKTDVSCQ-JBQLOVBRSA-N. The full InChI is InChI=1S/C26H34O8/c1-13-6-16-8-17(10-27)19(11-33-26-25(31)24(30)21(29)12-34-26)23(18(16)7-14(13)2)15-4-5-20(28)22(9-15)32-3/h4-7,9,17,19,21,23-31H,8,10-12H2,1-3H3/t17-,19-,21-,23?,24+,25-,26-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol?

(2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 474.55 g/mol, XLogP of 1.39, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 129175902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).