[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid

C5H13O10P3 — CID 11372813

IUPAC[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid
SMILESC=C(C)COCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H13O10P3/c1-5(2)3-13-4-16(6,7)14-18(11,12)15-17(8,9)10/h1,3-4H2,2H3,(H,6,7)(H,11,12)(H2,8,9,10)
InChIKeyDMGCMLGRHDKHET-UHFFFAOYSA-N
MW326.07 g/mol
LogP0.95
Rot. Bonds8

About [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid

[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid (PubChem CID 11372813) has the molecular formula C5H13O10P3 and a molecular weight of 326.07 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid
PubChem CID11372813
Molecular FormulaC5H13O10P3
Molecular Weight326.07 g/mol
Exact Mass325.97
IUPAC Name[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid
SMILESC=C(C)COCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H13O10P3/c1-5(2)3-13-4-16(6,7)14-18(11,12)15-17(8,9)10/h1,3-4H2,2H3,(H,6,7)(H,11,12)(H2,8,9,10)
InChIKeyDMGCMLGRHDKHET-UHFFFAOYSA-N
XLogP0.95
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid (CID 11372813) is [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid is C=C(C)COCP(=O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid?
The InChIKey is DMGCMLGRHDKHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O10P3/c1-5(2)3-13-4-16(6,7)14-18(11,12)15-17(8,9)10/h1,3-4H2,2H3,(H,6,7)(H,11,12)(H2,8,9,10).
What are the key properties of [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid?
[hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid has a molecular weight of 326.07 g/mol, XLogP of 0.95, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl]oxy-(2-methylprop-2-enoxymethyl)phosphinic acid is sourced from PubChem (CID 11372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).