[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate

C17H33O7P — CID 126725941

IUPAC[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate
SMILESCCCCC/C=C\C/C=C\CCCC(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h6-7,9-10,16-19H,2-5,8,11-15H2,1H3,(H2,20,21,22)/b7-6-,10-9-/t16-,17?/m1/s1
InChIKeyPZIHXPJKNFIXAD-KNFSQSKESA-N
MW380.42 g/mol
LogP3.04
Rot. Bonds16

About [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate

[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate (PubChem CID 126725941) has the molecular formula C17H33O7P and a molecular weight of 380.42 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate
PubChem CID126725941
Molecular FormulaC17H33O7P
Molecular Weight380.42 g/mol
Exact Mass380.20
IUPAC Name[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate
SMILESCCCCC/C=C\C/C=C\CCCC(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h6-7,9-10,16-19H,2-5,8,11-15H2,1H3,(H2,20,21,22)/b7-6-,10-9-/t16-,17?/m1/s1
InChIKeyPZIHXPJKNFIXAD-KNFSQSKESA-N
XLogP3.04
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-hydroxy-3-(1-hydroxyoctadeca-9,12-dienoxy)propyl] dihydrogen phosphate
CID 91252754
[2-hydroxy-3-[(Z,1S)-1-hydroxyoctadec-9-enoxy]propyl] dihydrogen phosphate
CID 58185637
1-Linoleoyl-2-hydroxy-sn-glycero-3-PA (sodium salt)
CID 171042956
[(2R)-2-hydroxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate;[(2R)-2-hydroxy-3-phosphonooxypropyl] propanoate
CID 161370110
[(2R)-2-hydroxy-3-phosphonooxypropyl] heptadec-9-enoate
CID 3247018
(2-hydroxy-3-phosphonooxypropyl) (Z)-henicos-11-enoate
CID 138150720
(2-hydroxy-3-phosphonooxypropyl) icos-13-enoate
CID 54376151
[(2R)-2-hydroxy-3-phosphonooxypropyl] nonadec-9-enoate
CID 123636603
(2-hydroxy-3-phosphonooxypropyl) octadeca-2,12-dienoate
CID 173209111
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 156977210
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (5Z,8Z,11Z,14Z,19R)-19-hydroxyicosa-5,8,11,14-tetraenoate
CID 156976692
[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] docosanoate
CID 165192410

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate (CID 126725941) is [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate is CCCCC/C=C\C/C=C\CCCC(O)OC[C@@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate?
The InChIKey is PZIHXPJKNFIXAD-KNFSQSKESA-N. The full InChI is InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h6-7,9-10,16-19H,2-5,8,11-15H2,1H3,(H2,20,21,22)/b7-6-,10-9-/t16-,17?/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate?
[(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate has a molecular weight of 380.42 g/mol, XLogP of 3.04, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[(5Z,8Z)-1-hydroxytetradeca-5,8-dienoxy]propyl] dihydrogen phosphate is sourced from PubChem (CID 126725941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).