2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

C28H34O16 — CID 163146684

About 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (PubChem CID 163146684) has the molecular formula C28H34O16 and a molecular weight of 626.56 g/mol. Its IUPAC name is 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• PubChem CID: 163146684
• Molecular Formula: C28H34O16
• Molecular Weight: 626.56 g/mol
• Exact Mass: 626.18
• IUPAC Name: 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• SMILES: COc1c(O)cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1O
• InChI: InChI=1S/C28H34O16/c1-9-19(33)21(35)23(37)27(41-9)40-8-18-20(34)22(36)24(38)28(44-18)43-17-7-12-13(30)5-11(29)6-16(12)42-25(17)10-3-14(31)26(39-2)15(32)4-10/h3-7,9,18-25,27-38H,8H2,1-2H3
• InChIKey: LVXBWWUTMNZKES-UHFFFAOYSA-N
• XLogP: -1.34
• TPSA: 257.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	626.56
LogP ≤ 5	-1.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The IUPAC name of 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (CID 163146684) is 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

What is the SMILES notation for 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The canonical SMILES for 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is COc1c(O)cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1O.

What is the InChIKey of 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The InChIKey is LVXBWWUTMNZKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O16/c1-9-19(33)21(35)23(37)27(41-9)40-8-18-20(34)22(36)24(38)28(44-18)43-17-7-12-13(30)5-11(29)6-16(12)42-25(17)10-3-14(31)26(39-2)15(32)4-10/h3-7,9,18-25,27-38H,8H2,1-2H3.

What are the key properties of 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol has a molecular weight of 626.56 g/mol, XLogP of -1.34, 7 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 163146684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).