Monomethyl phosphate

CH5O4P — CID 13130

About Monomethyl phosphate

Monomethyl phosphate (PubChem CID 13130) has the molecular formula CH5O4P and a molecular weight of 112.02 g/mol. Its IUPAC name is methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: Monomethyl phosphate
• PubChem CID: 13130
• Molecular Formula: CH5O4P
• Molecular Weight: 112.02 g/mol
• Exact Mass: 111.99
• IUPAC Name: methyl dihydrogen phosphate
• SMILES: COP(=O)(O)O
• InChIKey: CAAULPUQFIIOTL-UHFFFAOYSA-N
• XLogP: -1.60
• TPSA: 66.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: 71

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	112.02
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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