dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate

C7H19O9P3 — CID 167268096

IUPACdimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)OP(=O)(OC)C(C)C
InChIInChI=1S/C7H19O9P3/c1-7(2)17(8,11-3)15-19(10,14-6)16-18(9,12-4)13-5/h7H,1-6H3
InChIKeyQGNHDUHSIZFPSM-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.42
Rot. Bonds9

About dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate

dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate (PubChem CID 167268096) has the molecular formula C7H19O9P3 and a molecular weight of 340.14 g/mol. Its IUPAC name is dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate.

Molecular Properties

Compound Namedimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate
PubChem CID167268096
Molecular FormulaC7H19O9P3
Molecular Weight340.14 g/mol
Exact Mass340.02
IUPAC Namedimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)OP(=O)(OC)C(C)C
InChIInChI=1S/C7H19O9P3/c1-7(2)17(8,11-3)15-19(10,14-6)16-18(9,12-4)13-5/h7H,1-6H3
InChIKeyQGNHDUHSIZFPSM-UHFFFAOYSA-N
XLogP3.42
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate 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

1-[[methoxy(propan-2-yl)phosphoryl]oxy-propan-2-ylphosphoryl]oxypropane
CID 586976
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
CID 159233332
2-bis(methylperoxy)phosphorylpropane
CID 155439548
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
2-[methoxy(propan-2-yl)phosphoryl]propane
CID 15162241
methane;methyl dipropan-2-yl phosphate
CID 158565801
N-(1-dimethoxyphosphoryl-2-methylpropyl)hydroxylamine
CID 12065471
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate?
The IUPAC name of dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate (CID 167268096) is dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate.
What is the SMILES notation for dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate?
The canonical SMILES for dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate is COP(=O)(OC)OP(=O)(OC)OP(=O)(OC)C(C)C.
What is the InChIKey of dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate?
The InChIKey is QGNHDUHSIZFPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19O9P3/c1-7(2)17(8,11-3)15-19(10,14-6)16-18(9,12-4)13-5/h7H,1-6H3.
What are the key properties of dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate?
dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate has a molecular weight of 340.14 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate is sourced from PubChem (CID 167268096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).