tris(2,3-dihydroxyphenyl) phosphate

C18H15O10P — CID 141021157

IUPACtris(2,3-dihydroxyphenyl) phosphate
SMILESO=P(Oc1cccc(O)c1O)(Oc1cccc(O)c1O)Oc1cccc(O)c1O
InChIInChI=1S/C18H15O10P/c19-10-4-1-7-13(16(10)22)26-29(25,27-14-8-2-5-11(20)17(14)23)28-15-9-3-6-12(21)18(15)24/h1-9,19-24H
InChIKeyZKBYYDKGUMVYPD-UHFFFAOYSA-N
MW422.28 g/mol
LogP3.57
Rot. Bonds6

About tris(2,3-dihydroxyphenyl) phosphate

tris(2,3-dihydroxyphenyl) phosphate (PubChem CID 141021157) has the molecular formula C18H15O10P and a molecular weight of 422.28 g/mol. Its IUPAC name is tris(2,3-dihydroxyphenyl) phosphate.

Molecular Properties

Compound Nametris(2,3-dihydroxyphenyl) phosphate
PubChem CID141021157
Molecular FormulaC18H15O10P
Molecular Weight422.28 g/mol
Exact Mass422.04
IUPAC Nametris(2,3-dihydroxyphenyl) phosphate
SMILESO=P(Oc1cccc(O)c1O)(Oc1cccc(O)c1O)Oc1cccc(O)c1O
InChIInChI=1S/C18H15O10P/c19-10-4-1-7-13(16(10)22)26-29(25,27-14-8-2-5-11(20)17(14)23)28-15-9-3-6-12(21)18(15)24/h1-9,19-24H
InChIKeyZKBYYDKGUMVYPD-UHFFFAOYSA-N
XLogP3.57
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 53.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris(2,3-dihydroxyphenyl) phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dihydroxyphenyl) phenyl phosphate
CID 22456918
benzene-1,2,3-triol;diphosphono hydrogen phosphate
CID 87864287
3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol
CID 87861807
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
benzene-1,2,3-triol
CID 87074018
tris(2-bromo-3-chlorophenyl) phosphate
CID 87948325
5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol
CID 19426542
CID 174515144
CID 174515144
(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
benzene-1,2,3-triol;bismuthane
CID 174447840

Frequently Asked Questions

What is the IUPAC name of tris(2,3-dihydroxyphenyl) phosphate?
The IUPAC name of tris(2,3-dihydroxyphenyl) phosphate (CID 141021157) is tris(2,3-dihydroxyphenyl) phosphate.
What is the SMILES notation for tris(2,3-dihydroxyphenyl) phosphate?
The canonical SMILES for tris(2,3-dihydroxyphenyl) phosphate is O=P(Oc1cccc(O)c1O)(Oc1cccc(O)c1O)Oc1cccc(O)c1O.
What is the InChIKey of tris(2,3-dihydroxyphenyl) phosphate?
The InChIKey is ZKBYYDKGUMVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O10P/c19-10-4-1-7-13(16(10)22)26-29(25,27-14-8-2-5-11(20)17(14)23)28-15-9-3-6-12(21)18(15)24/h1-9,19-24H.
What are the key properties of tris(2,3-dihydroxyphenyl) phosphate?
tris(2,3-dihydroxyphenyl) phosphate has a molecular weight of 422.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3-dihydroxyphenyl) phosphate is sourced from PubChem (CID 141021157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).