azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate

C3H13NO7P2 — CID 174777676

IUPACazane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
SMILESCOP(=O)(O)OP(=O)(OC)OC.N
InChIInChI=1S/C3H10O7P2.H3N/c1-7-11(4,5)10-12(6,8-2)9-3;/h1-3H3,(H,4,5);1H3
InChIKeyJNWJSCRERFZKCO-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.31
Rot. Bonds5

About azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate

azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate (PubChem CID 174777676) has the molecular formula C3H13NO7P2 and a molecular weight of 237.08 g/mol. Its IUPAC name is azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate.

Molecular Properties

Compound Nameazane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
PubChem CID174777676
Molecular FormulaC3H13NO7P2
Molecular Weight237.08 g/mol
Exact Mass237.02
IUPAC Nameazane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
SMILESCOP(=O)(O)OP(=O)(OC)OC.N
InChIInChI=1S/C3H10O7P2.H3N/c1-7-11(4,5)10-12(6,8-2)9-3;/h1-3H3,(H,4,5);1H3
InChIKeyJNWJSCRERFZKCO-UHFFFAOYSA-N
XLogP1.31
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
azane;methyl phosphono hydrogen phosphate
CID 175124465
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
CID 159233332
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
dimethyl hydrogen phosphate;methane
CID 88807117
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid
CID 129308435
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
fluoro methyl hydrogen phosphate
CID 87128109

Frequently Asked Questions

What is the IUPAC name of azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate?
The IUPAC name of azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate (CID 174777676) is azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate.
What is the SMILES notation for azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate?
The canonical SMILES for azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate is COP(=O)(O)OP(=O)(OC)OC.N.
What is the InChIKey of azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate?
The InChIKey is JNWJSCRERFZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O7P2.H3N/c1-7-11(4,5)10-12(6,8-2)9-3;/h1-3H3,(H,4,5);1H3.
What are the key properties of azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate?
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate has a molecular weight of 237.08 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate is sourced from PubChem (CID 174777676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).