1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

C10H14O6P+ — CID 70579978

IUPAC1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
SMILESO=C(CO)CO.O=[P+](O)C(O)c1ccccc1
InChIInChI=1S/C7H7O3P.C3H6O3/c8-7(11(9)10)6-4-2-1-3-5-6;4-1-3(6)2-5/h1-5,7-8H;4-5H,1-2H2/p+1
InChIKeyCZSOUBCBPODYJS-UHFFFAOYSA-O
MW261.19 g/mol
LogP-0.05
Rot. Bonds4

About 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium

1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (PubChem CID 70579978) has the molecular formula C10H14O6P+ and a molecular weight of 261.19 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
PubChem CID70579978
Molecular FormulaC10H14O6P+
Molecular Weight261.19 g/mol
Exact Mass261.05
IUPAC Name1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
SMILESO=C(CO)CO.O=[P+](O)C(O)c1ccccc1
InChIInChI=1S/C7H7O3P.C3H6O3/c8-7(11(9)10)6-4-2-1-3-5-6;4-1-3(6)2-5/h1-5,7-8H;4-5H,1-2H2/p+1
InChIKeyCZSOUBCBPODYJS-UHFFFAOYSA-O
XLogP-0.05
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
CID 173341084
(3S,4R,5R,6S)-1,3,4,5,6-pentahydroxy-6-phenylhexan-2-one
CID 11043342
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
benzhydrylbenzene;2-sulfanylacetic acid
CID 87429481
[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium
CID 154463591
ethane-1,2-diol;bis(3-phenyl-3-sulfanylpropanoic acid)
CID 87208179
benzene-1,4-diol;1,3-dihydroxypropan-2-one
CID 19905929
1-hydroxy-4-methyl-3-phenylpentan-2-one
CID 46916077
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The IUPAC name of 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium (CID 70579978) is 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium.
What is the SMILES notation for 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The canonical SMILES for 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is O=C(CO)CO.O=[P+](O)C(O)c1ccccc1.
What is the InChIKey of 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
The InChIKey is CZSOUBCBPODYJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7O3P.C3H6O3/c8-7(11(9)10)6-4-2-1-3-5-6;4-1-3(6)2-5/h1-5,7-8H;4-5H,1-2H2/p+1.
What are the key properties of 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium?
1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium has a molecular weight of 261.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium is sourced from PubChem (CID 70579978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).