carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate

C5H15O10P3 — CID 159968116

IUPACcarbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/5CH3.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5
InChIKeyOEEUFNUJUHEXGR-UHFFFAOYSA-I
MW328.09 g/mol
LogP-1.60
Rot. Bonds4

About carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate

carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 159968116) has the molecular formula C5H15O10P3 and a molecular weight of 328.09 g/mol. Its IUPAC name is carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Namecarbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID159968116
Molecular FormulaC5H15O10P3
Molecular Weight328.09 g/mol
Exact Mass327.99
IUPAC Namecarbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/5CH3.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5
InChIKeyOEEUFNUJUHEXGR-UHFFFAOYSA-I
XLogP-1.60
TPSA184.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
fluoro-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 23418477
phosphonato phosphate
CID 644102

Frequently Asked Questions

What is the IUPAC name of carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 159968116) is carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].
What is the InChIKey of carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is OEEUFNUJUHEXGR-UHFFFAOYSA-I. The full InChI is InChI=1S/5CH3.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5.
What are the key properties of carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 328.09 g/mol, XLogP of -1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 159968116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).