CID 59074447

C4H9O4P — CID 59074447

IUPAC—
SMILES[CH]C(CO)CP(=O)(O)O
InChIInChI=1S/C4H9O4P/c1-4(2-5)3-9(6,7)8/h1,4-5H,2-3H2,(H2,6,7,8)
InChIKeyRUISZEZJHZMASA-UHFFFAOYSA-N
MW152.09 g/mol
LogP-0.52
Rot. Bonds3

About CID 59074447

CID 59074447 (PubChem CID 59074447) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol.

Molecular Properties

Compound NameCID 59074447
PubChem CID59074447
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name—
SMILES[CH]C(CO)CP(=O)(O)O
InChIInChI=1S/C4H9O4P/c1-4(2-5)3-9(6,7)8/h1,4-5H,2-3H2,(H2,6,7,8)
InChIKeyRUISZEZJHZMASA-UHFFFAOYSA-N
XLogP-0.52
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59074447 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
CID 175948517
CID 175948517
[(2S,3S,4R)-3,4,5-trihydroxy-2-[(1R)-1-hydroxy-2-oxoethyl]pentyl]phosphonic acid
CID 87770719
CID 88618709
CID 88618709
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
azane;hydroxymethylphosphonic acid
CID 175028252
[(2R)-3-amino-2-fluoropropyl]phosphonic acid
CID 122184355
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049

Frequently Asked Questions

What is the IUPAC name of CID 59074447?
The IUPAC name of CID 59074447 (CID 59074447) is not available.
What is the SMILES notation for CID 59074447?
The canonical SMILES for CID 59074447 is [CH]C(CO)CP(=O)(O)O.
What is the InChIKey of CID 59074447?
The InChIKey is RUISZEZJHZMASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-4(2-5)3-9(6,7)8/h1,4-5H,2-3H2,(H2,6,7,8).
What are the key properties of CID 59074447?
CID 59074447 has a molecular weight of 152.09 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59074447 is sourced from PubChem (CID 59074447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).