[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate

C22H39O10P — CID 67505930

IUPAC[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1=C(O)C(=O)O[C@@H]1[C@H](CO)OP(=O)(O)O
InChIInChI=1S/C22H39O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-21-19(25)22(26)31-20(21)17(16-23)32-33(27,28)29/h17,20,23,25H,2-16H2,1H3,(H2,27,28,29)/t17-,20+/m0/s1
InChIKeyJAZNSSIORSCQPY-FXAWDEMLSA-N
MW494.52 g/mol
LogP4.18
Rot. Bonds19

About [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate

[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate (PubChem CID 67505930) has the molecular formula C22H39O10P and a molecular weight of 494.52 g/mol. Its IUPAC name is [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate.

Molecular Properties

Compound Name[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate
PubChem CID67505930
Molecular FormulaC22H39O10P
Molecular Weight494.52 g/mol
Exact Mass494.23
IUPAC Name[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1=C(O)C(=O)O[C@@H]1[C@H](CO)OP(=O)(O)O
InChIInChI=1S/C22H39O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-21-19(25)22(26)31-20(21)17(16-23)32-33(27,28)29/h17,20,23,25H,2-16H2,1H3,(H2,27,28,29)/t17-,20+/m0/s1
InChIKeyJAZNSSIORSCQPY-FXAWDEMLSA-N
XLogP4.18
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.18
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate?
The IUPAC name of [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate (CID 67505930) is [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate.
What is the SMILES notation for [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate?
The canonical SMILES for [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC1=C(O)C(=O)O[C@@H]1[C@H](CO)OP(=O)(O)O.
What is the InChIKey of [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate?
The InChIKey is JAZNSSIORSCQPY-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H39O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-21-19(25)22(26)31-20(21)17(16-23)32-33(27,28)29/h17,20,23,25H,2-16H2,1H3,(H2,27,28,29)/t17-,20+/m0/s1.
What are the key properties of [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate?
[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate has a molecular weight of 494.52 g/mol, XLogP of 4.18, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate is sourced from PubChem (CID 67505930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).