[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

H4O10P3- — CID 23657868

IUPAC[hydroxy(phosphonooxy)phosphoryl] hydrogen 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-1
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-M
MW256.94 g/mol
LogP-1.33
Rot. Bonds4

About [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate (PubChem CID 23657868) has the molecular formula H4O10P3- and a molecular weight of 256.94 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
PubChem CID23657868
Molecular FormulaH4O10P3-
Molecular Weight256.94 g/mol
Exact Mass256.90
IUPAC Name[hydroxy(phosphonooxy)phosphoryl] hydrogen 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-1
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-M
XLogP-1.33
TPSA173.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.94
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pyrophosphoric acid
CID 1023
Triphosphoric acid
CID 983
Calcium Dihydrogen Phosphate
CID 24454
magnesium phosphate, monobasic, anhydrous
CID 6096959
Magnesium phosphate (USP)
CID 23724945
Tetraphosphoric acid
CID 197147
Monocalcium phosphate monohydrate
CID 10198893
Phosphoric acid, aluminum salt (3:1)
CID 9818426
Phosphoric acid, zinc salt (2:3), tetrahydrate
CID 19973792
Crandallite
CID 71300854
Barium bis(dihydrogenorthophosphate)
CID 13726205
Hydron;phosphono phosphate
CID 173008659

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate (CID 23657868) is [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is O=P([O-])(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The InChIKey is UNXRWKVEANCORM-UHFFFAOYSA-M. 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-1.
What are the key properties of [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate has a molecular weight of 256.94 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 23657868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).