[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate

C23H24NO3P — CID 139243704

IUPAC[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate
SMILESCC(=O)[O-].N/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP.C2H4O2/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-16H,17,22H2;1H3,(H,3,4)/b21-16-;
InChIKeySRBWZOFEZLTJCX-PLMZOXRSSA-N
MW393.42 g/mol
LogP2.09
Rot. Bonds5

About [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate

[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate (PubChem CID 139243704) has the molecular formula C23H24NO3P and a molecular weight of 393.42 g/mol. Its IUPAC name is [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate.

Molecular Properties

Compound Name[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate
PubChem CID139243704
Molecular FormulaC23H24NO3P
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate
SMILESCC(=O)[O-].N/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP.C2H4O2/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-16H,17,22H2;1H3,(H,3,4)/b21-16-;
InChIKeySRBWZOFEZLTJCX-PLMZOXRSSA-N
XLogP2.09
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(Triphenylphosphoranyl)propanoic acid
CID 61357
Triphenylcarboxymethylphosphonium chloride
CID 202025
Ethyltriphenylphosphonium acetate
CID 94470
Acetic acid;gold;triphenylphosphanium
CID 6333605
Carboxymethylene triphenylphosphorane
CID 10870911
CID 11156005
CID 11156005
2-(Triphenylphosphoranylidene)propanoic acid
CID 13030225
Carboxymethyltriphenylphosphonium chloride
CID 129781583
Carboxymethyl(triphenyl)phosphanium
CID 202026
Butyl(triphenyl)phosphanium acetate
CID 18356071
Carboxymethyl triphenylphosphonium bromide
CID 21186329
(Carboxymethyl)(triphenyl)phosphonium iodide
CID 129775736

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate?
The IUPAC name of [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate (CID 139243704) is [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate.
What is the SMILES notation for [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate?
The canonical SMILES for [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate is CC(=O)[O-].N/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate?
The InChIKey is SRBWZOFEZLTJCX-PLMZOXRSSA-N. The full InChI is InChI=1S/C21H20NOP.C2H4O2/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-16H,17,22H2;1H3,(H,3,4)/b21-16-;.
What are the key properties of [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate?
[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate has a molecular weight of 393.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate is sourced from PubChem (CID 139243704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).