2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

C26H28O15 — CID 162933050

About 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one (PubChem CID 162933050) has the molecular formula C26H28O15 and a molecular weight of 580.50 g/mol. Its IUPAC name is 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one.

Molecular Properties

• Compound Name: 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
• PubChem CID: 162933050
• Molecular Formula: C26H28O15
• Molecular Weight: 580.50 g/mol
• Exact Mass: 580.14
• IUPAC Name: 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
• SMILES: O=c1cc(-c2ccc(O)cc2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)oc2cc(O)cc(O)c12
• InChI: InChI=1S/C26H28O15/c27-7-18-21(34)22(35)24(41-25-23(36)20(33)14(32)8-37-25)26(40-18)39-15-4-9(28)1-2-11(15)16-6-13(31)19-12(30)3-10(29)5-17(19)38-16/h1-6,14,18,20-30,32-36H,7-8H2
• InChIKey: OBAIWYAZXCJAFD-UHFFFAOYSA-N
• XLogP: -1.78
• TPSA: 249.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	580.50
LogP ≤ 5	-1.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?

The IUPAC name of 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one (CID 162933050) is 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one.

What is the SMILES notation for 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?

The canonical SMILES for 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one is O=c1cc(-c2ccc(O)cc2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)oc2cc(O)cc(O)c12.

What is the InChIKey of 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?

The InChIKey is OBAIWYAZXCJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O15/c27-7-18-21(34)22(35)24(41-25-23(36)20(33)14(32)8-37-25)26(40-18)39-15-4-9(28)1-2-11(15)16-6-13(31)19-12(30)3-10(29)5-17(19)38-16/h1-6,14,18,20-30,32-36H,7-8H2.

What are the key properties of 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?

2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one has a molecular weight of 580.50 g/mol, XLogP of -1.78, 6 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 162933050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).