[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate

C14H28NO8P — CID 171393582

IUPAC[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate
SMILESCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(C)=O
InChIInChI=1S/C14H28NO8P/c1-3-4-5-6-7-14(17)20-10-13(23-12(2)16)11-22-24(18,19)21-9-8-15/h13H,3-11,15H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUFNRSSIXIAMZDV-CYBMUJFWSA-N
MW369.35 g/mol
LogP1.52
Rot. Bonds14

About [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate

[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate (PubChem CID 171393582) has the molecular formula C14H28NO8P and a molecular weight of 369.35 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate
PubChem CID171393582
Molecular FormulaC14H28NO8P
Molecular Weight369.35 g/mol
Exact Mass369.16
IUPAC Name[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate
SMILESCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(C)=O
InChIInChI=1S/C14H28NO8P/c1-3-4-5-6-7-14(17)20-10-13(23-12(2)16)11-22-24(18,19)21-9-8-15/h13H,3-11,15H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUFNRSSIXIAMZDV-CYBMUJFWSA-N
XLogP1.52
TPSA134.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] pentadecanoate
CID 135393490
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heptadecanoyloxypropyl] docosanoate
CID 52924722
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] hexacosanoate
CID 134751467
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonadecanoyloxypropyl] tetracosanoate
CID 134782801
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] heptacosanoate
CID 138205000
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] henicosanoate
CID 138229083
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] pentacosanoate
CID 134757740
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] docosanoate
CID 133028493
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] pentadecanoate
CID 134780199
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] tetradecanoate
CID 163410151
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] tetracosanoate
CID 134720643
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetracosanoyloxypropyl] pentacosanoate
CID 134762682

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate?
The IUPAC name of [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate (CID 171393582) is [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate.
What is the SMILES notation for [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate?
The canonical SMILES for [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate is CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate?
The InChIKey is UFNRSSIXIAMZDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28NO8P/c1-3-4-5-6-7-14(17)20-10-13(23-12(2)16)11-22-24(18,19)21-9-8-15/h13H,3-11,15H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate?
[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate has a molecular weight of 369.35 g/mol, XLogP of 1.52, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] heptanoate is sourced from PubChem (CID 171393582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).