[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid

C6H16NO8P3 — CID 59583562

IUPAC[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid
SMILESCC(=O)CN(C)P(=O)(O)OP(=O)(O)OP(C)(C)=O
InChIInChI=1S/C6H16NO8P3/c1-6(8)5-7(2)17(10,11)15-18(12,13)14-16(3,4)9/h5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeySJLPSXVWDKACCE-UHFFFAOYSA-N
MW323.12 g/mol
LogP1.28
Rot. Bonds7

About [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid

[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid (PubChem CID 59583562) has the molecular formula C6H16NO8P3 and a molecular weight of 323.12 g/mol. Its IUPAC name is [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid.

Molecular Properties

Compound Name[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid
PubChem CID59583562
Molecular FormulaC6H16NO8P3
Molecular Weight323.12 g/mol
Exact Mass323.01
IUPAC Name[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid
SMILESCC(=O)CN(C)P(=O)(O)OP(=O)(O)OP(C)(C)=O
InChIInChI=1S/C6H16NO8P3/c1-6(8)5-7(2)17(10,11)15-18(12,13)14-16(3,4)9/h5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeySJLPSXVWDKACCE-UHFFFAOYSA-N
XLogP1.28
TPSA130.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid?
The IUPAC name of [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid (CID 59583562) is [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid.
What is the SMILES notation for [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid?
The canonical SMILES for [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid is CC(=O)CN(C)P(=O)(O)OP(=O)(O)OP(C)(C)=O.
What is the InChIKey of [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid?
The InChIKey is SJLPSXVWDKACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO8P3/c1-6(8)5-7(2)17(10,11)15-18(12,13)14-16(3,4)9/h5H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid?
[dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid has a molecular weight of 323.12 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylphosphoryloxy(hydroxy)phosphoryl]oxy-N-methyl-N-(2-oxopropyl)phosphonamidic acid is sourced from PubChem (CID 59583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).