(2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

C38H39NO8 — CID 163180121

About (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

(2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (PubChem CID 163180121) has the molecular formula C38H39NO8 and a molecular weight of 637.73 g/mol. Its IUPAC name is (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.

Molecular Properties

• Compound Name: (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
• PubChem CID: 163180121
• Molecular Formula: C38H39NO8
• Molecular Weight: 637.73 g/mol
• Exact Mass: 637.27
• IUPAC Name: (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
• SMILES: COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)C[C@@H](Cc2ccc3c(c2)=CCN=3)c2cc(O)ccc2-4)cc(CCCO)c1O
• InChI: InChI=1S/C38H39NO8/c1-45-35-17-25(15-23(37(35)44)3-2-10-40)38-32(43)19-29-30-16-24(14-21-4-7-31-22(13-21)8-9-39-31)28-18-26(42)5-6-27(28)36(30)34(46-12-11-41)20-33(29)47-38/h4-8,13,15,17-18,20,24,32,38,40-44H,2-3,9-12,14,16,19H2,1H3/t24-,32-,38-/m1/s1
• InChIKey: YTZKIPGDGMOTAS-IWUREYBXSA-N
• XLogP: 3.40
• TPSA: 141.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.73
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The IUPAC name of (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (CID 163180121) is (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.

What is the SMILES notation for (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The canonical SMILES for (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)C[C@@H](Cc2ccc3c(c2)=CCN=3)c2cc(O)ccc2-4)cc(CCCO)c1O.

What is the InChIKey of (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The InChIKey is YTZKIPGDGMOTAS-IWUREYBXSA-N. The full InChI is InChI=1S/C38H39NO8/c1-45-35-17-25(15-23(37(35)44)3-2-10-40)38-32(43)19-29-30-16-24(14-21-4-7-31-22(13-21)8-9-39-31)28-18-26(42)5-6-27(28)36(30)34(46-12-11-41)20-33(29)47-38/h4-8,13,15,17-18,20,24,32,38,40-44H,2-3,9-12,14,16,19H2,1H3/t24-,32-,38-/m1/s1.

What are the key properties of (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

(2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol has a molecular weight of 637.73 g/mol, XLogP of 3.40, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,6R)-11-(2-hydroxyethoxy)-2-[4-hydroxy-3-(3-hydroxypropyl)-5-methoxyphenyl]-6-(2H-indol-5-ylmethyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is sourced from PubChem (CID 163180121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).