dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate

C3H13O16P5 — CID 159233332

IUPACdimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H13O16P5/c1-13-23(11,14-2)19-24(12,15-3)18-22(9,10)17-21(7,8)16-20(4,5)6/h1-3H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyKTEBVPGUQOZFRQ-UHFFFAOYSA-N
MW459.99 g/mol
LogP1.50
Rot. Bonds11

About dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate

dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate (PubChem CID 159233332) has the molecular formula C3H13O16P5 and a molecular weight of 459.99 g/mol. Its IUPAC name is dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate.

Molecular Properties

Compound Namedimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
PubChem CID159233332
Molecular FormulaC3H13O16P5
Molecular Weight459.99 g/mol
Exact Mass459.89
IUPAC Namedimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C3H13O16P5/c1-13-23(11,14-2)19-24(12,15-3)18-22(9,10)17-21(7,8)16-20(4,5)6/h1-3H3,(H,7,8)(H,9,10)(H2,4,5,6)
InChIKeyKTEBVPGUQOZFRQ-UHFFFAOYSA-N
XLogP1.50
TPSA230.88 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.99
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] 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

dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
azane;methyl phosphono hydrogen phosphate
CID 175124465
[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] dipropan-2-yl phosphate
CID 139957076
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
diethoxyphosphoryl ethyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 139957054
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate?
The IUPAC name of dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate (CID 159233332) is dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate.
What is the SMILES notation for dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate?
The canonical SMILES for dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate is COP(=O)(OC)OP(=O)(OC)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate?
The InChIKey is KTEBVPGUQOZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H13O16P5/c1-13-23(11,14-2)19-24(12,15-3)18-22(9,10)17-21(7,8)16-20(4,5)6/h1-3H3,(H,7,8)(H,9,10)(H2,4,5,6).
What are the key properties of dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate?
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate has a molecular weight of 459.99 g/mol, XLogP of 1.50, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate is sourced from PubChem (CID 159233332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).