[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium

C2H5O6P2+ — CID 88638322

IUPAC[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium
SMILESCC(=O)P(=O)(O)O[P+](=O)O
InChIInChI=1S/C2H4O6P2/c1-2(3)10(6,7)8-9(4)5/h1H3,(H-,4,5,6,7)/p+1
InChIKeyNIQWDILUZIUTGW-UHFFFAOYSA-O
MW187.00 g/mol
LogP0.38
Rot. Bonds3

About [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium

[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium (PubChem CID 88638322) has the molecular formula C2H5O6P2+ and a molecular weight of 187.00 g/mol. Its IUPAC name is [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium
PubChem CID88638322
Molecular FormulaC2H5O6P2+
Molecular Weight187.00 g/mol
Exact Mass186.96
IUPAC Name[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium
SMILESCC(=O)P(=O)(O)O[P+](=O)O
InChIInChI=1S/C2H4O6P2/c1-2(3)10(6,7)8-9(4)5/h1H3,(H-,4,5,6,7)/p+1
InChIKeyNIQWDILUZIUTGW-UHFFFAOYSA-O
XLogP0.38
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium (CID 88638322) is [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium is CC(=O)P(=O)(O)O[P+](=O)O.
What is the InChIKey of [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium?
The InChIKey is NIQWDILUZIUTGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4O6P2/c1-2(3)10(6,7)8-9(4)5/h1H3,(H-,4,5,6,7)/p+1.
What are the key properties of [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium?
[acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium has a molecular weight of 187.00 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(hydroxy)phosphoryl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88638322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).