[oxido(phosphonatooxy)phosphoryl] phosphate

O10P3-5 — CID 3440921

IUPAC[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-I
MW252.91 g/mol
LogP-3.85
Rot. Bonds4

About [oxido(phosphonatooxy)phosphoryl] phosphate

[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 3440921) has the molecular formula O10P3-5 and a molecular weight of 252.91 g/mol. Its IUPAC name is [oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID3440921
Molecular FormulaO10P3-5
Molecular Weight252.91 g/mol
Exact Mass252.87
IUPAC Name[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-I
XLogP-3.85
TPSA184.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.91
LogP ≤ 5-3.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of [oxido(phosphonatooxy)phosphoryl] phosphate (CID 3440921) is [oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for [oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for [oxido(phosphonatooxy)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is UNXRWKVEANCORM-UHFFFAOYSA-I. The full InChI is InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-5.
What are the key properties of [oxido(phosphonatooxy)phosphoryl] phosphate?
[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 252.91 g/mol, XLogP of -3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 3440921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).