(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium

C16H12O12P2+2 — CID 157058789

IUPAC(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium
SMILESO=C(O)c1ccc([P+](=O)O)c(C(=O)O)c1.O=C(O)c1cccc([P+](=O)O)c1C(=O)O
InChIInChI=1S/2C8H5O6P/c9-7(10)4-1-2-6(15(13)14)5(3-4)8(11)12;9-7(10)4-2-1-3-5(15(13)14)6(4)8(11)12/h2*1-3H,(H2-,9,10,11,12,13,14)/p+2
InChIKeyYAWAXGHOCOKDPW-UHFFFAOYSA-P
MW458.21 g/mol
LogP0.89
Rot. Bonds6

About (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium

(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium (PubChem CID 157058789) has the molecular formula C16H12O12P2+2 and a molecular weight of 458.21 g/mol. Its IUPAC name is (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium
PubChem CID157058789
Molecular FormulaC16H12O12P2+2
Molecular Weight458.21 g/mol
Exact Mass457.98
IUPAC Name(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium
SMILESO=C(O)c1ccc([P+](=O)O)c(C(=O)O)c1.O=C(O)c1cccc([P+](=O)O)c1C(=O)O
InChIInChI=1S/2C8H5O6P/c9-7(10)4-1-2-6(15(13)14)5(3-4)8(11)12;9-7(10)4-2-1-3-5(15(13)14)6(4)8(11)12/h2*1-3H,(H2-,9,10,11,12,13,14)/p+2
InChIKeyYAWAXGHOCOKDPW-UHFFFAOYSA-P
XLogP0.89
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.21
LogP ≤ 50.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium?
The IUPAC name of (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium (CID 157058789) is (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium?
The canonical SMILES for (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium is O=C(O)c1ccc([P+](=O)O)c(C(=O)O)c1.O=C(O)c1cccc([P+](=O)O)c1C(=O)O.
What is the InChIKey of (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium?
The InChIKey is YAWAXGHOCOKDPW-UHFFFAOYSA-P. The full InChI is InChI=1S/2C8H5O6P/c9-7(10)4-1-2-6(15(13)14)5(3-4)8(11)12;9-7(10)4-2-1-3-5(15(13)14)6(4)8(11)12/h2*1-3H,(H2-,9,10,11,12,13,14)/p+2.
What are the key properties of (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium?
(2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium has a molecular weight of 458.21 g/mol, XLogP of 0.89, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dicarboxyphenyl)-hydroxy-oxophosphanium;(2,4-dicarboxyphenyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 157058789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).