(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate

C18H36O7P- — CID 71720889

IUPAC(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate
SMILESCCCCCCCCCCCC/C=C(\[O-])OC[C@H](COP(=O)(O)O)OC
InChIInChI=1S/C18H37O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(19)24-15-17(23-2)16-25-26(20,21)22/h14,17,19H,3-13,15-16H2,1-2H3,(H2,20,21,22)/p-1/b18-14+/t17-/m1/s1
InChIKeyJYPCLEFXJJCALO-SOGDLCAJSA-M
MW395.45 g/mol
LogP3.64
Rot. Bonds18

About (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate

(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate (PubChem CID 71720889) has the molecular formula C18H36O7P- and a molecular weight of 395.45 g/mol. Its IUPAC name is (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate.

Molecular Properties

Compound Name(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate
PubChem CID71720889
Molecular FormulaC18H36O7P-
Molecular Weight395.45 g/mol
Exact Mass395.22
IUPAC Name(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate
SMILESCCCCCCCCCCCC/C=C(\[O-])OC[C@H](COP(=O)(O)O)OC
InChIInChI=1S/C18H37O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(19)24-15-17(23-2)16-25-26(20,21)22/h14,17,19H,3-13,15-16H2,1-2H3,(H2,20,21,22)/p-1/b18-14+/t17-/m1/s1
InChIKeyJYPCLEFXJJCALO-SOGDLCAJSA-M
XLogP3.64
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate with MolForge

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Related Compounds

[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] docosanoate
CID 52929535
[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
CID 131821977
[(2R)-2-[(E)-octadec-7-enoyl]oxy-3-phosphonooxypropyl] tricosanoate
CID 134746381
(1-phosphonooxy-3-tetradecanoyloxypropan-2-yl) (Z)-tetracos-13-enoate
CID 138159754
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
CID 52928919
(1-phosphonooxy-3-tridecanoyloxypropan-2-yl) (Z)-octadec-9-enoate
CID 138248355
[(2S)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (E)-pentadec-9-enoate
CID 172877860
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] heptadecanoate
CID 52928822
[2-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropyl] pentacosanoate
CID 138237615
[(2R)-2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] nonadecanoate
CID 134784155
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (E)-octadec-9-enoate
CID 134740038
[(2R)-2-[(E)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] icosanoate
CID 134723861

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate?
The IUPAC name of (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate (CID 71720889) is (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate.
What is the SMILES notation for (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate?
The canonical SMILES for (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate is CCCCCCCCCCCC/C=C(\[O-])OC[C@H](COP(=O)(O)O)OC.
What is the InChIKey of (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate?
The InChIKey is JYPCLEFXJJCALO-SOGDLCAJSA-M. The full InChI is InChI=1S/C18H37O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(19)24-15-17(23-2)16-25-26(20,21)22/h14,17,19H,3-13,15-16H2,1-2H3,(H2,20,21,22)/p-1/b18-14+/t17-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate?
(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate has a molecular weight of 395.45 g/mol, XLogP of 3.64, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate is sourced from PubChem (CID 71720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).