2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid

C10H10O10 — CID 166844283

IUPAC2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid
SMILESO=C1OC2C(O)C(O1)C1(O)C(O)C(OC(=O)C(=O)O)C21
InChIInChI=1S/C10H10O10/c11-2-3-1-4(18-8(15)7(13)14)5(12)10(1,17)6(2)20-9(16)19-3/h1-6,11-12,17H,(H,13,14)
InChIKeyRZVXLWCPUOHUPA-UHFFFAOYSA-N
MW290.18 g/mol
LogP-3.02
Rot. Bonds1

About 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid

2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid (PubChem CID 166844283) has the molecular formula C10H10O10 and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid
PubChem CID166844283
Molecular FormulaC10H10O10
Molecular Weight290.18 g/mol
Exact Mass290.03
IUPAC Name2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid
SMILESO=C1OC2C(O)C(O1)C1(O)C(O)C(OC(=O)C(=O)O)C21
InChIInChI=1S/C10H10O10/c11-2-3-1-4(18-8(15)7(13)14)5(12)10(1,17)6(2)20-9(16)19-3/h1-6,11-12,17H,(H,13,14)
InChIKeyRZVXLWCPUOHUPA-UHFFFAOYSA-N
XLogP-3.02
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid?
The IUPAC name of 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid (CID 166844283) is 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid?
The canonical SMILES for 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid is O=C1OC2C(O)C(O1)C1(O)C(O)C(OC(=O)C(=O)O)C21.
What is the InChIKey of 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid?
The InChIKey is RZVXLWCPUOHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O10/c11-2-3-1-4(18-8(15)7(13)14)5(12)10(1,17)6(2)20-9(16)19-3/h1-6,11-12,17H,(H,13,14).
What are the key properties of 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid?
2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid has a molecular weight of 290.18 g/mol, XLogP of -3.02, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4,5,10-trihydroxy-8-oxo-7,9-dioxatricyclo[4.3.1.02,5]decan-3-yl)oxy]acetic acid is sourced from PubChem (CID 166844283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).