phosphoric acid;phthalic acid

C8H15O16P3 — CID 175071379

IUPACphosphoric acid;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H6O4.3H3O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12;3*1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);3*(H3,1,2,3,4)
InChIKeyMZIFMCQYGINQSK-UHFFFAOYSA-N
MW460.11 g/mol
LogP-1.70
Rot. Bonds2

About phosphoric acid;phthalic acid

phosphoric acid;phthalic acid (PubChem CID 175071379) has the molecular formula C8H15O16P3 and a molecular weight of 460.11 g/mol. Its IUPAC name is phosphoric acid;phthalic acid.

Molecular Properties

Compound Namephosphoric acid;phthalic acid
PubChem CID175071379
Molecular FormulaC8H15O16P3
Molecular Weight460.11 g/mol
Exact Mass459.96
IUPAC Namephosphoric acid;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H6O4.3H3O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12;3*1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);3*(H3,1,2,3,4)
InChIKeyMZIFMCQYGINQSK-UHFFFAOYSA-N
XLogP-1.70
TPSA307.88 Ų
H-Bond Donors11
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.11
LogP ≤ 5-1.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
dilithium;hydride;phthalic acid
CID 173011412
formaldehyde;phthalic acid
CID 174659618
azane;phthalic acid;hydrochloride
CID 175440203
magnesium;phthalic acid;dichloride
CID 22501626

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;phthalic acid?
The IUPAC name of phosphoric acid;phthalic acid (CID 175071379) is phosphoric acid;phthalic acid.
What is the SMILES notation for phosphoric acid;phthalic acid?
The canonical SMILES for phosphoric acid;phthalic acid is O=C(O)c1ccccc1C(=O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;phthalic acid?
The InChIKey is MZIFMCQYGINQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.3H3O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12;3*1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);3*(H3,1,2,3,4).
What are the key properties of phosphoric acid;phthalic acid?
phosphoric acid;phthalic acid has a molecular weight of 460.11 g/mol, XLogP of -1.70, 2 rotatable bonds, 11 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;phthalic acid is sourced from PubChem (CID 175071379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).