(6-oxoxanthen-3-yl) phosphate

C13H7O6P-2 — CID 23576909

IUPAC(6-oxoxanthen-3-yl) phosphate
SMILESO=c1ccc2cc3ccc(OP(=O)([O-])[O-])cc3oc-2c1
InChIInChI=1S/C13H9O6P/c14-10-3-1-8-5-9-2-4-11(19-20(15,16)17)7-13(9)18-12(8)6-10/h1-7H,(H2,15,16,17)/p-2
InChIKeyBFMKFKJMHUPVPK-UHFFFAOYSA-L
MW290.17 g/mol
LogP1.11
Rot. Bonds2

About (6-oxoxanthen-3-yl) phosphate

(6-oxoxanthen-3-yl) phosphate (PubChem CID 23576909) has the molecular formula C13H7O6P-2 and a molecular weight of 290.17 g/mol. Its IUPAC name is (6-oxoxanthen-3-yl) phosphate.

Molecular Properties

Compound Name(6-oxoxanthen-3-yl) phosphate
PubChem CID23576909
Molecular FormulaC13H7O6P-2
Molecular Weight290.17 g/mol
Exact Mass290.00
IUPAC Name(6-oxoxanthen-3-yl) phosphate
SMILESO=c1ccc2cc3ccc(OP(=O)([O-])[O-])cc3oc-2c1
InChIInChI=1S/C13H9O6P/c14-10-3-1-8-5-9-2-4-11(19-20(15,16)17)7-13(9)18-12(8)6-10/h1-7H,(H2,15,16,17)/p-2
InChIKeyBFMKFKJMHUPVPK-UHFFFAOYSA-L
XLogP1.11
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-oxoxanthen-3-yl) phosphate?
The IUPAC name of (6-oxoxanthen-3-yl) phosphate (CID 23576909) is (6-oxoxanthen-3-yl) phosphate.
What is the SMILES notation for (6-oxoxanthen-3-yl) phosphate?
The canonical SMILES for (6-oxoxanthen-3-yl) phosphate is O=c1ccc2cc3ccc(OP(=O)([O-])[O-])cc3oc-2c1.
What is the InChIKey of (6-oxoxanthen-3-yl) phosphate?
The InChIKey is BFMKFKJMHUPVPK-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9O6P/c14-10-3-1-8-5-9-2-4-11(19-20(15,16)17)7-13(9)18-12(8)6-10/h1-7H,(H2,15,16,17)/p-2.
What are the key properties of (6-oxoxanthen-3-yl) phosphate?
(6-oxoxanthen-3-yl) phosphate has a molecular weight of 290.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxoxanthen-3-yl) phosphate is sourced from PubChem (CID 23576909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).