bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate

H3BrO8P2 — CID 173006116

IUPACbromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
SMILESO=P(O)(OO)OP(=O)(O)OBr
InChIInChI=1S/BrH3O8P2/c1-7-10(3,4)9-11(5,6)8-2/h2H,(H,3,4)(H,5,6)
InChIKeyFNDKWJINGAXLDY-UHFFFAOYSA-N
MW272.87 g/mol
LogP1.02
Rot. Bonds4

About bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate

bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate (PubChem CID 173006116) has the molecular formula H3BrO8P2 and a molecular weight of 272.87 g/mol. Its IUPAC name is bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Namebromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
PubChem CID173006116
Molecular FormulaH3BrO8P2
Molecular Weight272.87 g/mol
Exact Mass271.85
IUPAC Namebromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
SMILESO=P(O)(OO)OP(=O)(O)OBr
InChIInChI=1S/BrH3O8P2/c1-7-10(3,4)9-11(5,6)8-2/h2H,(H,3,4)(H,5,6)
InChIKeyFNDKWJINGAXLDY-UHFFFAOYSA-N
XLogP1.02
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.87
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate?
The IUPAC name of bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate (CID 173006116) is bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate.
What is the SMILES notation for bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate?
The canonical SMILES for bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate is O=P(O)(OO)OP(=O)(O)OBr.
What is the InChIKey of bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate?
The InChIKey is FNDKWJINGAXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/BrH3O8P2/c1-7-10(3,4)9-11(5,6)8-2/h2H,(H,3,4)(H,5,6).
What are the key properties of bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate?
bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate has a molecular weight of 272.87 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bromo [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 173006116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).