[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate

C9H19N2O8P — CID 135291453

IUPAC[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate
SMILESCC(=O)OCC(COP(=O)(O)OCCNN)OC(C)=O
InChIInChI=1S/C9H19N2O8P/c1-7(12)16-5-9(19-8(2)13)6-18-20(14,15)17-4-3-11-10/h9,11H,3-6,10H2,1-2H3,(H,14,15)
InChIKeySLCGMSQIFXVFFE-UHFFFAOYSA-N
MW314.23 g/mol
LogP-0.92
Rot. Bonds10

About [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate

[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate (PubChem CID 135291453) has the molecular formula C9H19N2O8P and a molecular weight of 314.23 g/mol. Its IUPAC name is [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate
PubChem CID135291453
Molecular FormulaC9H19N2O8P
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC Name[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate
SMILESCC(=O)OCC(COP(=O)(O)OCCNN)OC(C)=O
InChIInChI=1S/C9H19N2O8P/c1-7(12)16-5-9(19-8(2)13)6-18-20(14,15)17-4-3-11-10/h9,11H,3-6,10H2,1-2H3,(H,14,15)
InChIKeySLCGMSQIFXVFFE-UHFFFAOYSA-N
XLogP-0.92
TPSA146.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-acetyloxy-3-[hydroxy-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]phosphoryl]oxypropyl] acetate;methane
CID 159502248
[3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-[3-(propan-2-ylamino)propanoyloxy]propyl] 3-(propan-2-ylamino)propanoate
CID 174184613
4-[2-(3-carboxypropanoyloxy)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxypropoxy]-4-oxobutanoic acid
CID 174184640
[3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-[3-(dimethylamino)propanoyloxy]propyl] 3-(dimethylamino)propanoate
CID 174184623
[(2R)-2,3-diacetyloxypropyl] hydrogen phosphate
CID 59891983
[2-[(3R)-3-aminobutanoyl]oxy-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxypropyl] (3R)-3-aminobutanoate
CID 174184622
[(2R)-2-acetyloxy-3-[[(2R)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] propanoate;propane
CID 163183432
[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] pentadecanoate
CID 135393490
[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate
CID 171393582
[(2S)-3-[hydroxy(4-oxopentoxy)phosphoryl]oxy-2-(4-oxopentoxy)propyl] acetate
CID 58331137
[2-acetyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] acetate
CID 143952246
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate?
The IUPAC name of [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate (CID 135291453) is [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate.
What is the SMILES notation for [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate?
The canonical SMILES for [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate is CC(=O)OCC(COP(=O)(O)OCCNN)OC(C)=O.
What is the InChIKey of [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate?
The InChIKey is SLCGMSQIFXVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O8P/c1-7(12)16-5-9(19-8(2)13)6-18-20(14,15)17-4-3-11-10/h9,11H,3-6,10H2,1-2H3,(H,14,15).
What are the key properties of [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate?
[2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate has a molecular weight of 314.23 g/mol, XLogP of -0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-3-[2-hydrazinylethoxy(hydroxy)phosphoryl]oxypropyl] acetate is sourced from PubChem (CID 135291453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).