[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane

C17H38NO11P — CID 159502248

IUPAC[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane
SMILESC.C.C.COCCOCC(=O)NCCOP(=O)(O)OCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C14H26NO11P.3CH4/c1-11(16)23-8-13(26-12(2)17)9-25-27(19,20)24-5-4-15-14(18)10-22-7-6-21-3;;;/h13H,4-10H2,1-3H3,(H,15,18)(H,19,20);3*1H4
InChIKeyLZNPHSRTZRSLLY-UHFFFAOYSA-N
MW463.46 g/mol
LogP1.30
Rot. Bonds15

About [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane

[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane (PubChem CID 159502248) has the molecular formula C17H38NO11P and a molecular weight of 463.46 g/mol. Its IUPAC name is [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane.

Molecular Properties

Compound Name[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane
PubChem CID159502248
Molecular FormulaC17H38NO11P
Molecular Weight463.46 g/mol
Exact Mass463.22
IUPAC Name[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane
SMILESC.C.C.COCCOCC(=O)NCCOP(=O)(O)OCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C14H26NO11P.3CH4/c1-11(16)23-8-13(26-12(2)17)9-25-27(19,20)24-5-4-15-14(18)10-22-7-6-21-3;;;/h13H,4-10H2,1-3H3,(H,15,18)(H,19,20);3*1H4
InChIKeyLZNPHSRTZRSLLY-UHFFFAOYSA-N
XLogP1.30
TPSA155.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate
CID 135291453
[1-[2-[[2-(2-aminoethoxy)acetyl]amino]ethoxy-hydroxyphosphoryl]oxy-3-carboniodidoyloxypropan-2-yl] carboniodidate
CID 149326181
[3-[2-[[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 172770537
[2-acetyloxy-3-[hydroxy-[2-[2-[2-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxycarbonylamino]ethoxy]phosphoryl]oxypropyl] acetate
CID 134259652
[2-acetyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] acetate
CID 143952246
[3-[hydroxy-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
CID 118148239
[(2R)-3-[hydroxy-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
CID 118698114
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
[3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-[3-(propan-2-ylamino)propanoyloxy]propyl] 3-(propan-2-ylamino)propanoate
CID 174184613
[3-[hydroxy-[2-(2-methoxyethoxycarbonylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;methane
CID 172875062
[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] acetate
CID 165259213
[2-acetyloxy-3-[2-(3-methylpentanoylamino)ethoxy-nitrosophosphoryl]oxypropyl] acetate
CID 89202885

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane?
The IUPAC name of [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane (CID 159502248) is [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane.
What is the SMILES notation for [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane?
The canonical SMILES for [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane is C.C.C.COCCOCC(=O)NCCOP(=O)(O)OCC(COC(C)=O)OC(C)=O.
What is the InChIKey of [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane?
The InChIKey is LZNPHSRTZRSLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO11P.3CH4/c1-11(16)23-8-13(26-12(2)17)9-25-27(19,20)24-5-4-15-14(18)10-22-7-6-21-3;;;/h13H,4-10H2,1-3H3,(H,15,18)(H,19,20);3*1H4.
What are the key properties of [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane?
[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane has a molecular weight of 463.46 g/mol, XLogP of 1.30, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane is sourced from PubChem (CID 159502248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).