[hydroxy(oxido)phosphoryl] phosphate

HO7P2-3 — CID 4097574

IUPAC[hydroxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])O
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-K
MW174.95 g/mol
LogP-2.71
Rot. Bonds2

About [hydroxy(oxido)phosphoryl] phosphate

[hydroxy(oxido)phosphoryl] phosphate (PubChem CID 4097574) has the molecular formula HO7P2-3 and a molecular weight of 174.95 g/mol. Its IUPAC name is [hydroxy(oxido)phosphoryl] phosphate.

Molecular Properties

Compound Name[hydroxy(oxido)phosphoryl] phosphate
PubChem CID4097574
Molecular FormulaHO7P2-3
Molecular Weight174.95 g/mol
Exact Mass174.92
IUPAC Name[hydroxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])O
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-K
XLogP-2.71
TPSA132.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.95
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(oxido)phosphoryl] phosphate?
The IUPAC name of [hydroxy(oxido)phosphoryl] phosphate (CID 4097574) is [hydroxy(oxido)phosphoryl] phosphate.
What is the SMILES notation for [hydroxy(oxido)phosphoryl] phosphate?
The canonical SMILES for [hydroxy(oxido)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])O.
What is the InChIKey of [hydroxy(oxido)phosphoryl] phosphate?
The InChIKey is XPPKVPWEQAFLFU-UHFFFAOYSA-K. The full InChI is InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3.
What are the key properties of [hydroxy(oxido)phosphoryl] phosphate?
[hydroxy(oxido)phosphoryl] phosphate has a molecular weight of 174.95 g/mol, XLogP of -2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphoryl] phosphate is sourced from PubChem (CID 4097574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).