[(2R)-2,3-di(decanoyloxy)propyl] phosphate

C23H43O8P-2 — CID 86289480

IUPAC[(2R)-2,3-di(decanoyloxy)propyl] phosphate
SMILESCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCC
InChIInChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-2/t21-/m1/s1
InChIKeyPHQFPHNJHDEXLJ-OAQYLSRUSA-L
MW478.56 g/mol
LogP4.57
Rot. Bonds22

About [(2R)-2,3-di(decanoyloxy)propyl] phosphate

[(2R)-2,3-di(decanoyloxy)propyl] phosphate (PubChem CID 86289480) has the molecular formula C23H43O8P-2 and a molecular weight of 478.56 g/mol. Its IUPAC name is [(2R)-2,3-di(decanoyloxy)propyl] phosphate.

Molecular Properties

Compound Name[(2R)-2,3-di(decanoyloxy)propyl] phosphate
PubChem CID86289480
Molecular FormulaC23H43O8P-2
Molecular Weight478.56 g/mol
Exact Mass478.27
IUPAC Name[(2R)-2,3-di(decanoyloxy)propyl] phosphate
SMILESCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCC
InChIInChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-2/t21-/m1/s1
InChIKeyPHQFPHNJHDEXLJ-OAQYLSRUSA-L
XLogP4.57
TPSA125.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
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)-3-heptadecanoyloxy-2-hexadecanoyloxypropyl] phosphate
CID 86583407
disodium;[(2R)-3-(12-aminododecanoyloxy)-2-dodecanoyloxypropyl] phosphate
CID 10940978
[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] phosphate
CID 71627247
bis[2,3-di(octanoyloxy)propyl] phosphate
CID 122371168
disodium;[(2S)-3-(13-acetamidotridecanoyloxy)-2-undecanoyloxypropyl] phosphate
CID 59520971
dodecasodium;[(2S)-3-(10-acetylsulfanyldecanoyloxy)-2-octanoyloxypropyl] phosphate;[(2S)-3-(9-acetylsulfanylnonanoyloxy)-2-octanoyloxypropyl] phosphate;[(2S)-3-(8-acetylsulfanyloctanoyloxy)-2-octanoyloxypropyl] phosphate;[(2S)-3-(15-acetylsulfanylpentadecanoyloxy)-2-octanoyloxypropyl] phosphate;[(2S)-3-(14-acetylsulfanyltetradecanoyloxy)-2-octanoyloxypropyl] phosphate;[(2S)-3-(13-acetylsulfanyltridecanoyloxy)-2-octanoyloxypropyl] phosphate
CID 160909307
disodium;[(2R)-3-(13-acetamidotridecanoyloxy)-2-octanoyloxypropyl] phosphate
CID 59521490
disodium;[(2S)-3-(16-acetylsulfanylhexadecanoyloxy)-2-tridecanoyloxypropyl] phosphate
CID 59522191
disodium;[(2S)-3-(9-acetylsulfanylnonanoyloxy)-2-undecanoyloxypropyl] phosphate
CID 59522015
disodium;[(2S)-3-(9-acetylsulfanylnonanoyloxy)-2-octanoyloxypropyl] phosphate
CID 59520840
disodium;[(2S)-3-(14-acetamidotetradecanoyloxy)-2-dodecanoyloxypropyl] phosphate
CID 59522042
disodium;[(2S)-3-(15-acetamidopentadecanoyloxy)-2-undecanoyloxypropyl] phosphate
CID 59522517

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-di(decanoyloxy)propyl] phosphate?
The IUPAC name of [(2R)-2,3-di(decanoyloxy)propyl] phosphate (CID 86289480) is [(2R)-2,3-di(decanoyloxy)propyl] phosphate.
What is the SMILES notation for [(2R)-2,3-di(decanoyloxy)propyl] phosphate?
The canonical SMILES for [(2R)-2,3-di(decanoyloxy)propyl] phosphate is CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCC.
What is the InChIKey of [(2R)-2,3-di(decanoyloxy)propyl] phosphate?
The InChIKey is PHQFPHNJHDEXLJ-OAQYLSRUSA-L. The full InChI is InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-2/t21-/m1/s1.
What are the key properties of [(2R)-2,3-di(decanoyloxy)propyl] phosphate?
[(2R)-2,3-di(decanoyloxy)propyl] phosphate has a molecular weight of 478.56 g/mol, XLogP of 4.57, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-di(decanoyloxy)propyl] phosphate is sourced from PubChem (CID 86289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).