oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium

C18H10O15P+ — CID 69282312

IUPACoxo-bis(2,3,5-tricarboxyphenoxy)phosphanium
SMILESO=C(O)c1cc(O[P+](=O)Oc2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C18H9O15P/c19-13(20)5-1-7(15(23)24)11(17(27)28)9(3-5)32-34(31)33-10-4-6(14(21)22)2-8(16(25)26)12(10)18(29)30/h1-4H,(H5-,19,20,21,22,23,24,25,26,27,28,29,30)/p+1
InChIKeyDQUXRMNZAJEIBS-UHFFFAOYSA-O
MW497.24 g/mol
LogP1.99
Rot. Bonds10

About oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium

oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium (PubChem CID 69282312) has the molecular formula C18H10O15P+ and a molecular weight of 497.24 g/mol. Its IUPAC name is oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2,3,5-tricarboxyphenoxy)phosphanium
PubChem CID69282312
Molecular FormulaC18H10O15P+
Molecular Weight497.24 g/mol
Exact Mass496.98
IUPAC Nameoxo-bis(2,3,5-tricarboxyphenoxy)phosphanium
SMILESO=C(O)c1cc(O[P+](=O)Oc2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C18H9O15P/c19-13(20)5-1-7(15(23)24)11(17(27)28)9(3-5)32-34(31)33-10-4-6(14(21)22)2-8(16(25)26)12(10)18(29)30/h1-4H,(H5-,19,20,21,22,23,24,25,26,27,28,29,30)/p+1
InChIKeyDQUXRMNZAJEIBS-UHFFFAOYSA-O
XLogP1.99
TPSA259.33 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.24
LogP ≤ 51.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium?
The IUPAC name of oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium (CID 69282312) is oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium.
What is the SMILES notation for oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium?
The canonical SMILES for oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium is O=C(O)c1cc(O[P+](=O)Oc2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium?
The InChIKey is DQUXRMNZAJEIBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H9O15P/c19-13(20)5-1-7(15(23)24)11(17(27)28)9(3-5)32-34(31)33-10-4-6(14(21)22)2-8(16(25)26)12(10)18(29)30/h1-4H,(H5-,19,20,21,22,23,24,25,26,27,28,29,30)/p+1.
What are the key properties of oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium?
oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium has a molecular weight of 497.24 g/mol, XLogP of 1.99, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium is sourced from PubChem (CID 69282312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).