trihydroxy(propanoyl)phosphanium

C3H8O4P+ — CID 56636058

IUPACtrihydroxy(propanoyl)phosphanium
SMILESCCC(=O)[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-2-3(4)8(5,6)7/h5-7H,2H2,1H3/q+1
InChIKeyRMHVCOCANOTQJU-UHFFFAOYSA-N
MW139.07 g/mol
LogP-0.34
Rot. Bonds2

About trihydroxy(propanoyl)phosphanium

trihydroxy(propanoyl)phosphanium (PubChem CID 56636058) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is trihydroxy(propanoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(propanoyl)phosphanium
PubChem CID56636058
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Nametrihydroxy(propanoyl)phosphanium
SMILESCCC(=O)[P+](O)(O)O
InChIInChI=1S/C3H8O4P/c1-2-3(4)8(5,6)7/h5-7H,2H2,1H3/q+1
InChIKeyRMHVCOCANOTQJU-UHFFFAOYSA-N
XLogP-0.34
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dioxido-propanoylphosphanium
CID 136702972
dipropanoyl (Z)-but-2-enedioate
CID 88688365
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
methoxymethane;propane-1,1-diol;propanoic acid
CID 174468940
4-hydroxyheptane-3,5-dione;uranium
CID 59435078
propanoyl (113C)propanoate
CID 91179573
2-hydroxypropanoic acid;propanoic acid
CID 175004384
butan-2-one;pentan-3-ol
CID 159181592
4-methoxy-5-methylheptan-3-one
CID 83225969
propanoyl 2-bromopropanoate
CID 87180539
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
4-methoxy-5-methylhexan-3-one
CID 83225971

Frequently Asked Questions

What is the IUPAC name of trihydroxy(propanoyl)phosphanium?
The IUPAC name of trihydroxy(propanoyl)phosphanium (CID 56636058) is trihydroxy(propanoyl)phosphanium.
What is the SMILES notation for trihydroxy(propanoyl)phosphanium?
The canonical SMILES for trihydroxy(propanoyl)phosphanium is CCC(=O)[P+](O)(O)O.
What is the InChIKey of trihydroxy(propanoyl)phosphanium?
The InChIKey is RMHVCOCANOTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4P/c1-2-3(4)8(5,6)7/h5-7H,2H2,1H3/q+1.
What are the key properties of trihydroxy(propanoyl)phosphanium?
trihydroxy(propanoyl)phosphanium has a molecular weight of 139.07 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(propanoyl)phosphanium is sourced from PubChem (CID 56636058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).