acetic acid;oxophosphane

C6H13O7P — CID 175588110

IUPACacetic acid;oxophosphane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=P
InChIInChI=1S/3C2H4O2.HOP/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);2H
InChIKeyNAHQZSOGOZISQT-UHFFFAOYSA-N
MW228.14 g/mol
LogP0.75
Rot. Bonds

About acetic acid;oxophosphane

acetic acid;oxophosphane (PubChem CID 175588110) has the molecular formula C6H13O7P and a molecular weight of 228.14 g/mol. Its IUPAC name is acetic acid;oxophosphane.

Molecular Properties

Compound Nameacetic acid;oxophosphane
PubChem CID175588110
Molecular FormulaC6H13O7P
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Nameacetic acid;oxophosphane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=P
InChIInChI=1S/3C2H4O2.HOP/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);2H
InChIKeyNAHQZSOGOZISQT-UHFFFAOYSA-N
XLogP0.75
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;oxophosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid
CID 158444727
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473
acetic acid;ruthenium
CID 175502908
acetic acid;germane
CID 174334920
acetic acid;vanadium
CID 173443465

Frequently Asked Questions

What is the IUPAC name of acetic acid;oxophosphane?
The IUPAC name of acetic acid;oxophosphane (CID 175588110) is acetic acid;oxophosphane.
What is the SMILES notation for acetic acid;oxophosphane?
The canonical SMILES for acetic acid;oxophosphane is CC(=O)O.CC(=O)O.CC(=O)O.O=P.
What is the InChIKey of acetic acid;oxophosphane?
The InChIKey is NAHQZSOGOZISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.HOP/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);2H.
What are the key properties of acetic acid;oxophosphane?
acetic acid;oxophosphane has a molecular weight of 228.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;oxophosphane is sourced from PubChem (CID 175588110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).