triacetyloxy(hydroxy)phosphanium

C6H10O7P+ — CID 177255462

IUPACtriacetyloxy(hydroxy)phosphanium
SMILESCC(=O)O[P+](O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C6H10O7P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h10H,1-3H3/q+1
InChIKeyYOWBWALINWCWLK-UHFFFAOYSA-N
MW225.11 g/mol
LogP0.35
Rot. Bonds3

About triacetyloxy(hydroxy)phosphanium

triacetyloxy(hydroxy)phosphanium (PubChem CID 177255462) has the molecular formula C6H10O7P+ and a molecular weight of 225.11 g/mol. Its IUPAC name is triacetyloxy(hydroxy)phosphanium.

Molecular Properties

Compound Nametriacetyloxy(hydroxy)phosphanium
PubChem CID177255462
Molecular FormulaC6H10O7P+
Molecular Weight225.11 g/mol
Exact Mass225.02
IUPAC Nametriacetyloxy(hydroxy)phosphanium
SMILESCC(=O)O[P+](O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C6H10O7P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h10H,1-3H3/q+1
InChIKeyYOWBWALINWCWLK-UHFFFAOYSA-N
XLogP0.35
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxypropyl(197Hg)mercury-197;hydrate
CID 23724952
acetyl acetate;chromium(2+)
CID 19978523
1-hydroxypropyl acetate
CID 21275092
propan-2-yl acetate;hydrochloride
CID 87336432
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
(4-hydroxy-2,5-dimethylhexan-3-yl) acetate
CID 172559655
Lead triacetate
CID 16695854
ethane;ethaneperoxoic acid;methanamine
CID 159871057

Frequently Asked Questions

What is the IUPAC name of triacetyloxy(hydroxy)phosphanium?
The IUPAC name of triacetyloxy(hydroxy)phosphanium (CID 177255462) is triacetyloxy(hydroxy)phosphanium.
What is the SMILES notation for triacetyloxy(hydroxy)phosphanium?
The canonical SMILES for triacetyloxy(hydroxy)phosphanium is CC(=O)O[P+](O)(OC(C)=O)OC(C)=O.
What is the InChIKey of triacetyloxy(hydroxy)phosphanium?
The InChIKey is YOWBWALINWCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h10H,1-3H3/q+1.
What are the key properties of triacetyloxy(hydroxy)phosphanium?
triacetyloxy(hydroxy)phosphanium has a molecular weight of 225.11 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triacetyloxy(hydroxy)phosphanium is sourced from PubChem (CID 177255462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).