hydroxy-dioxido-propanoylphosphanium

C3H6O4P- — CID 136702972

IUPAChydroxy-dioxido-propanoylphosphanium
SMILESCCC(=O)[P+]([O-])([O-])O
InChIInChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1
InChIKeyPGQFEEGXXRXUTC-UHFFFAOYSA-M
MW137.05 g/mol
LogP-1.60
Rot. Bonds2

About hydroxy-dioxido-propanoylphosphanium

hydroxy-dioxido-propanoylphosphanium (PubChem CID 136702972) has the molecular formula C3H6O4P- and a molecular weight of 137.05 g/mol. Its IUPAC name is hydroxy-dioxido-propanoylphosphanium.

Molecular Properties

Compound Namehydroxy-dioxido-propanoylphosphanium
PubChem CID136702972
Molecular FormulaC3H6O4P-
Molecular Weight137.05 g/mol
Exact Mass137.00
IUPAC Namehydroxy-dioxido-propanoylphosphanium
SMILESCCC(=O)[P+]([O-])([O-])O
InChIInChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1
InChIKeyPGQFEEGXXRXUTC-UHFFFAOYSA-M
XLogP-1.60
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dioxido-propanoylphosphanium?
The IUPAC name of hydroxy-dioxido-propanoylphosphanium (CID 136702972) is hydroxy-dioxido-propanoylphosphanium.
What is the SMILES notation for hydroxy-dioxido-propanoylphosphanium?
The canonical SMILES for hydroxy-dioxido-propanoylphosphanium is CCC(=O)[P+]([O-])([O-])O.
What is the InChIKey of hydroxy-dioxido-propanoylphosphanium?
The InChIKey is PGQFEEGXXRXUTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O4P/c1-2-3(4)8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1.
What are the key properties of hydroxy-dioxido-propanoylphosphanium?
hydroxy-dioxido-propanoylphosphanium has a molecular weight of 137.05 g/mol, XLogP of -1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dioxido-propanoylphosphanium is sourced from PubChem (CID 136702972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).