CID 6857654

HO4P- — CID 6857654

IUPAC—
SMILES[O]P(=O)([O-])O
InChIInChI=1S/H2O4P/c1-5(2,3)4/h(H2,1,2,3)/p-1
InChIKeyFPENSXCWDDOFJI-UHFFFAOYSA-M
MW95.98 g/mol
LogP-1.12
Rot. Bonds

About CID 6857654

CID 6857654 (PubChem CID 6857654) has the molecular formula HO4P- and a molecular weight of 95.98 g/mol.

Molecular Properties

Compound NameCID 6857654
PubChem CID6857654
Molecular FormulaHO4P-
Molecular Weight95.98 g/mol
Exact Mass95.96
IUPAC Name—
SMILES[O]P(=O)([O-])O
InChIInChI=1S/H2O4P/c1-5(2,3)4/h(H2,1,2,3)/p-1
InChIKeyFPENSXCWDDOFJI-UHFFFAOYSA-M
XLogP-1.12
TPSA80.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.98
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric Acid
CID 1004
Monobasic potassium phosphate
CID 516951
Phosphate
CID 1061
Monosodium phosphate
CID 23672064
Calcium hydrogen phosphate
CID 24441
Phosphoric acid, beryllium salt (1:1)
CID 26127
Dihydrogenphosphate
CID 1003
Concise etchant
CID 22486802
Magnesium Hydrogen Phosphate
CID 123955
Metaphosphoric Acid
CID 3084658
Hydrogen phosphate
CID 3681305
Copper hydroxide phosphate (Cu2(OH)(PO4))
CID 166635

Frequently Asked Questions

What is the IUPAC name of CID 6857654?
The IUPAC name of CID 6857654 (CID 6857654) is not available.
What is the SMILES notation for CID 6857654?
The canonical SMILES for CID 6857654 is [O]P(=O)([O-])O.
What is the InChIKey of CID 6857654?
The InChIKey is FPENSXCWDDOFJI-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O4P/c1-5(2,3)4/h(H2,1,2,3)/p-1.
What are the key properties of CID 6857654?
CID 6857654 has a molecular weight of 95.98 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6857654 is sourced from PubChem (CID 6857654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).