2-acetyloxypropanoyl(trihydroxy)phosphanium

C5H10O6P+ — CID 57269878

IUPAC2-acetyloxypropanoyl(trihydroxy)phosphanium
SMILESCC(=O)OC(C)C(=O)[P+](O)(O)O
InChIInChI=1S/C5H10O6P/c1-3(11-4(2)6)5(7)12(8,9)10/h3,8-10H,1-2H3/q+1
InChIKeySIRPUCQWYUIROO-UHFFFAOYSA-N
MW197.10 g/mol
LogP-0.80
Rot. Bonds3

About 2-acetyloxypropanoyl(trihydroxy)phosphanium

2-acetyloxypropanoyl(trihydroxy)phosphanium (PubChem CID 57269878) has the molecular formula C5H10O6P+ and a molecular weight of 197.10 g/mol. Its IUPAC name is 2-acetyloxypropanoyl(trihydroxy)phosphanium.

Molecular Properties

Compound Name2-acetyloxypropanoyl(trihydroxy)phosphanium
PubChem CID57269878
Molecular FormulaC5H10O6P+
Molecular Weight197.10 g/mol
Exact Mass197.02
IUPAC Name2-acetyloxypropanoyl(trihydroxy)phosphanium
SMILESCC(=O)OC(C)C(=O)[P+](O)(O)O
InChIInChI=1S/C5H10O6P/c1-3(11-4(2)6)5(7)12(8,9)10/h3,8-10H,1-2H3/q+1
InChIKeySIRPUCQWYUIROO-UHFFFAOYSA-N
XLogP-0.80
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetyloxypropanoic acid
CID 6326324
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
(2S)-2-acetyloxypropanoate
CID 40784882
3-hydroxybutan-2-yl acetate;3-oxobutan-2-yl acetate
CID 54434658
1-propan-2-yloxyethyl 2-acetyloxypropanoate
CID 171574286
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
propan-2-yl acetate;hydrochloride
CID 87336432
1-hydroxypropyl acetate
CID 21275092
1-dichlorosilylethyl acetate
CID 173076621
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropanoyl(trihydroxy)phosphanium?
The IUPAC name of 2-acetyloxypropanoyl(trihydroxy)phosphanium (CID 57269878) is 2-acetyloxypropanoyl(trihydroxy)phosphanium.
What is the SMILES notation for 2-acetyloxypropanoyl(trihydroxy)phosphanium?
The canonical SMILES for 2-acetyloxypropanoyl(trihydroxy)phosphanium is CC(=O)OC(C)C(=O)[P+](O)(O)O.
What is the InChIKey of 2-acetyloxypropanoyl(trihydroxy)phosphanium?
The InChIKey is SIRPUCQWYUIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6P/c1-3(11-4(2)6)5(7)12(8,9)10/h3,8-10H,1-2H3/q+1.
What are the key properties of 2-acetyloxypropanoyl(trihydroxy)phosphanium?
2-acetyloxypropanoyl(trihydroxy)phosphanium has a molecular weight of 197.10 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropanoyl(trihydroxy)phosphanium is sourced from PubChem (CID 57269878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).