[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C10H22NO7P — CID 24779495

IUPAC[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILESCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C10H22NO7P/c1-9(13)18-10(7-12)8-17-19(14,15)16-6-5-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyZHRISDYJXKPXAW-SNVBAGLBSA-N
MW299.26 g/mol
LogP-0.88
Rot. Bonds9

About [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 24779495) has the molecular formula C10H22NO7P and a molecular weight of 299.26 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID24779495
Molecular FormulaC10H22NO7P
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILESCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C10H22NO7P/c1-9(13)18-10(7-12)8-17-19(14,15)16-6-5-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyZHRISDYJXKPXAW-SNVBAGLBSA-N
XLogP-0.88
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-heptadecanoyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 18684045
[(2R)-2-(8-carboxyoctanoyloxy)-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 121232640
[(2R)-2-(5,5-dimethoxypentanoyloxy)-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 175703794
[(2R)-2-acetyloxy-3-dec-9-enoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 24779370
[2-[[(E)-3-boronoprop-2-enyl]carbamoyloxy]-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 163427030
[2-[(Z)-heptadec-4-enoyl]oxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 134776859
[3-hydroxy-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 167996238
[2-acetyloxy-3-[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 165245895
(3-acetyloxy-2-docosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
CID 138176799
(3-acetyloxy-2-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
CID 21269388
2-prop-2-enoyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 87338155
(2-methoxycarbonyloxy-3-octoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
CID 88694898

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate (CID 24779495) is [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate is CC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.
What is the InChIKey of [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is ZHRISDYJXKPXAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22NO7P/c1-9(13)18-10(7-12)8-17-19(14,15)16-6-5-11(2,3)4/h10,12H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate?
[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 299.26 g/mol, XLogP of -0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 24779495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).