hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

C21H24O9P3+3 — CID 90333087

IUPAChydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
SMILESO=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1
InChIInChI=1S/3C7H7O3P/c3*8-7(11(9)10)6-4-2-1-3-5-6/h3*1-5,7-8H/p+3
InChIKeyHJBIGJKCUNHMJZ-UHFFFAOYSA-Q
MW513.34 g/mol
LogP4.24
Rot. Bonds6

About hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (PubChem CID 90333087) has the molecular formula C21H24O9P3+3 and a molecular weight of 513.34 g/mol. Its IUPAC name is hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
PubChem CID90333087
Molecular FormulaC21H24O9P3+3
Molecular Weight513.34 g/mol
Exact Mass513.06
IUPAC Namehydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
SMILESO=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1
InChIInChI=1S/3C7H7O3P/c3*8-7(11(9)10)6-4-2-1-3-5-6/h3*1-5,7-8H/p+3
InChIKeyHJBIGJKCUNHMJZ-UHFFFAOYSA-Q
XLogP4.24
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.34
LogP ≤ 54.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
CID 173341084
1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 70579978
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
hydroxy-[[hydroxy(oxo)silyl]oxy-phenylmethyl]-oxophosphanium
CID 70398699
1,2-diphenylethane-1,2-diol
CID 159073808
hydroxy-oxo-[(R)-phenyl-[[(R)-phenyl(phospho)methyl]amino]methyl]phosphanium
CID 139247816
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The IUPAC name of hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (CID 90333087) is hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The canonical SMILES for hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is O=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1.O=[P+](O)C(O)c1ccccc1.
What is the InChIKey of hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The InChIKey is HJBIGJKCUNHMJZ-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C7H7O3P/c3*8-7(11(9)10)6-4-2-1-3-5-6/h3*1-5,7-8H/p+3.
What are the key properties of hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium has a molecular weight of 513.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is sourced from PubChem (CID 90333087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).