25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone

C24H28O8 — CID 134921636

IUPAC25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone
SMILESO=C1CCCCCCC(=O)c2c(O)c(coc2=O)CCCCCCc2cc(O)c1c(=O)o2
InChIInChI=1S/C24H28O8/c25-17-11-7-3-4-8-12-18(26)21-22(28)15(14-31-23(21)29)9-5-1-2-6-10-16-13-19(27)20(17)24(30)32-16/h13-14,27-28H,1-12H2
InChIKeyICOFLOCHOLUGEE-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.07
Rot. Bonds

About 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone

25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone (PubChem CID 134921636) has the molecular formula C24H28O8 and a molecular weight of 444.48 g/mol. Its IUPAC name is 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone.

Molecular Properties

Compound Name25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone
PubChem CID134921636
Molecular FormulaC24H28O8
Molecular Weight444.48 g/mol
Exact Mass444.18
IUPAC Name25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone
SMILESO=C1CCCCCCC(=O)c2c(O)c(coc2=O)CCCCCCc2cc(O)c1c(=O)o2
InChIInChI=1S/C24H28O8/c25-17-11-7-3-4-8-12-18(26)21-22(28)15(14-31-23(21)29)9-5-1-2-6-10-16-13-19(27)20(17)24(30)32-16/h13-14,27-28H,1-12H2
InChIKeyICOFLOCHOLUGEE-UHFFFAOYSA-N
XLogP4.07
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone?
The IUPAC name of 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone (CID 134921636) is 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone.
What is the SMILES notation for 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone?
The canonical SMILES for 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone is O=C1CCCCCCC(=O)c2c(O)c(coc2=O)CCCCCCc2cc(O)c1c(=O)o2.
What is the InChIKey of 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone?
The InChIKey is ICOFLOCHOLUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O8/c25-17-11-7-3-4-8-12-18(26)21-22(28)15(14-31-23(21)29)9-5-1-2-6-10-16-13-19(27)20(17)24(30)32-16/h13-14,27-28H,1-12H2.
What are the key properties of 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone?
25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone has a molecular weight of 444.48 g/mol, XLogP of 4.07, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone is sourced from PubChem (CID 134921636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).