trihydroxy phosphate

H3O7P — CID 12057537

IUPACtrihydroxy phosphate
SMILESO=P(OO)(OO)OO
InChIInChI=1S/H3O7P/c1-5-8(4,6-2)7-3/h1-3H
InChIKeyHWIORSQIDHLVBH-UHFFFAOYSA-N
MW145.99 g/mol
LogP0.56
Rot. Bonds3

About trihydroxy phosphate

trihydroxy phosphate (PubChem CID 12057537) has the molecular formula H3O7P and a molecular weight of 145.99 g/mol. Its IUPAC name is trihydroxy phosphate.

Molecular Properties

Compound Nametrihydroxy phosphate
PubChem CID12057537
Molecular FormulaH3O7P
Molecular Weight145.99 g/mol
Exact Mass145.96
IUPAC Nametrihydroxy phosphate
SMILESO=P(OO)(OO)OO
InChIInChI=1S/H3O7P/c1-5-8(4,6-2)7-3/h1-3H
InChIKeyHWIORSQIDHLVBH-UHFFFAOYSA-N
XLogP0.56
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.99
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy dimethyl phosphate
CID 126582959
sodium hydroxy phosphate
CID 23085561
hydroxy dihydrogen phosphate;vanadium
CID 173088443
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919
pentacalcium;hydroxy phosphate
CID 23186977
bis(chromium(3+));hydroxy phosphate
CID 175358449
calcium;hydroxy phosphate;silane
CID 174493436
hydroxy phosphate;iron(2+);manganese
CID 175368870
bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
CID 173006116
strontium;europium;hydride;hydroxy dihydrogen phosphate;manganese
CID 174505861
dodecyl hydroxy propyl phosphate
CID 21291111
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864

Frequently Asked Questions

What is the IUPAC name of trihydroxy phosphate?
The IUPAC name of trihydroxy phosphate (CID 12057537) is trihydroxy phosphate.
What is the SMILES notation for trihydroxy phosphate?
The canonical SMILES for trihydroxy phosphate is O=P(OO)(OO)OO.
What is the InChIKey of trihydroxy phosphate?
The InChIKey is HWIORSQIDHLVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O7P/c1-5-8(4,6-2)7-3/h1-3H.
What are the key properties of trihydroxy phosphate?
trihydroxy phosphate has a molecular weight of 145.99 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy phosphate is sourced from PubChem (CID 12057537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).