10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid

C22H13O10P — CID 100921752

IUPAC10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)P(=O)(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1O2
InChIInChI=1S/C22H13O10P/c23-19(24)11-6-15-17(8-13(11)21(27)28)33(31,10-4-2-1-3-5-10)18-9-14(22(29)30)12(20(25)26)7-16(18)32-15/h1-9H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyLQGYJRUNAJCNMO-UHFFFAOYSA-N
MW468.31 g/mol
LogP2.22
Rot. Bonds5

About 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid

10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid (PubChem CID 100921752) has the molecular formula C22H13O10P and a molecular weight of 468.31 g/mol. Its IUPAC name is 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid.

Molecular Properties

Compound Name10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid
PubChem CID100921752
Molecular FormulaC22H13O10P
Molecular Weight468.31 g/mol
Exact Mass468.02
IUPAC Name10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)P(=O)(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1O2
InChIInChI=1S/C22H13O10P/c23-19(24)11-6-15-17(8-13(11)21(27)28)33(31,10-4-2-1-3-5-10)18-9-14(22(29)30)12(20(25)26)7-16(18)32-15/h1-9H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyLQGYJRUNAJCNMO-UHFFFAOYSA-N
XLogP2.22
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.31
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
CID 118219678
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
5-oxo-5-phenylbenzo[b]phosphindole-2,8-disulfonic acid
CID 101209121
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide
CID 146634004
benzene-1,2,4,5-tetracarboxylic acid;ethene
CID 69404870
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
3-[14-(10-oxo-10-phenylphenoxaphosphinin-3-yl)-[1,4]benzoxazino[2,3-b]phenoxazin-7-yl]-10-phenylphenoxaphosphinine 10-oxide
CID 130396342
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
10-phenyl-5H-phenophosphazinine 10-oxide
CID 12550143

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid?
The IUPAC name of 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid (CID 100921752) is 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid.
What is the SMILES notation for 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid?
The canonical SMILES for 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid is O=C(O)c1cc2c(cc1C(=O)O)P(=O)(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1O2.
What is the InChIKey of 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid?
The InChIKey is LQGYJRUNAJCNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13O10P/c23-19(24)11-6-15-17(8-13(11)21(27)28)33(31,10-4-2-1-3-5-10)18-9-14(22(29)30)12(20(25)26)7-16(18)32-15/h1-9H,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid?
10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid has a molecular weight of 468.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid is sourced from PubChem (CID 100921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).