[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate

C16H32NO8P — CID 155488640

IUPAC[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
SMILESCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)(O)OCCN
InChIInChI=1S/C16H32NO8P/c1-3-4-5-6-7-8-9-16(19)25-15(12-22-14(2)18)13-24-26(20,21)23-11-10-17/h15H,3-13,17H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyTZXRLXPRYRMMFW-OAHLLOKOSA-N
MW397.41 g/mol
LogP2.30
Rot. Bonds16

About [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate

[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate (PubChem CID 155488640) has the molecular formula C16H32NO8P and a molecular weight of 397.41 g/mol. Its IUPAC name is [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate.

Molecular Properties

Compound Name[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
PubChem CID155488640
Molecular FormulaC16H32NO8P
Molecular Weight397.41 g/mol
Exact Mass397.19
IUPAC Name[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
SMILESCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)(O)OCCN
InChIInChI=1S/C16H32NO8P/c1-3-4-5-6-7-8-9-16(19)25-15(12-22-14(2)18)13-24-26(20,21)23-11-10-17/h15H,3-13,17H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyTZXRLXPRYRMMFW-OAHLLOKOSA-N
XLogP2.30
TPSA134.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.30
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

[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexacosanoate
CID 138185249
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] hexadecanoate
CID 52924091
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] icosanoate
CID 138175166
[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
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonanoyloxypropyl] dodecanoate
CID 164890063

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate?
The IUPAC name of [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate (CID 155488640) is [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate.
What is the SMILES notation for [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate?
The canonical SMILES for [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate is CCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)(O)OCCN.
What is the InChIKey of [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate?
The InChIKey is TZXRLXPRYRMMFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32NO8P/c1-3-4-5-6-7-8-9-16(19)25-15(12-22-14(2)18)13-24-26(20,21)23-11-10-17/h15H,3-13,17H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate?
[(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate has a molecular weight of 397.41 g/mol, XLogP of 2.30, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate is sourced from PubChem (CID 155488640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).