[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate

C19H39O7P — CID 6419701

IUPAC[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKeyYNDYKPRNFWPPFU-GOSISDBHSA-N
MW410.49 g/mol
LogP4.48
Rot. Bonds19

About [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate

[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate (PubChem CID 6419701) has the molecular formula C19H39O7P and a molecular weight of 410.49 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate
PubChem CID6419701
Molecular FormulaC19H39O7P
Molecular Weight410.49 g/mol
Exact Mass410.24
IUPAC Name[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKeyYNDYKPRNFWPPFU-GOSISDBHSA-N
XLogP4.48
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate?
The IUPAC name of [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate (CID 6419701) is [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate?
The canonical SMILES for [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate?
The InChIKey is YNDYKPRNFWPPFU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate?
[(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate has a molecular weight of 410.49 g/mol, XLogP of 4.48, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-phosphonooxypropyl] hexadecanoate is sourced from PubChem (CID 6419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).