[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate

C15H32NO5P — CID 10149938

IUPAC[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate
SMILESCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)COP(=O)(O)O
InChIInChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15-/m0/s1
InChIKeyLDACFZBJXUAJHJ-NOQIOLJMSA-N
MW337.40 g/mol
LogP2.87
Rot. Bonds14

About [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate

[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate (PubChem CID 10149938) has the molecular formula C15H32NO5P and a molecular weight of 337.40 g/mol. Its IUPAC name is [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate
PubChem CID10149938
Molecular FormulaC15H32NO5P
Molecular Weight337.40 g/mol
Exact Mass337.20
IUPAC Name[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate
SMILESCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)COP(=O)(O)O
InChIInChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15-/m0/s1
InChIKeyLDACFZBJXUAJHJ-NOQIOLJMSA-N
XLogP2.87
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E,2R)-2-amino-3-hydroxyoctadec-4-enyl] tert-butyl hydrogen phosphate
CID 164775683
2-amino-1-methoxyoctadec-4-en-3-ol
CID 54490244
[(E,2S,3S)-2-azido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
CID 162672091
[(E,2R)-2-amino-3-oxooctadec-4-enyl] dihydrogen phosphate
CID 101217990
[(E)-2-amino-3-hydroxyoctadec-4-enyl] 2-hydroxyacetate
CID 22406525
[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)heptadec-4-enyl] dihydrogen phosphate
CID 25153736
[(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)tetradec-4-enyl] dihydrogen phosphate
CID 134730354
[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] dihydrogen phosphate
CID 5283583
[(E,2S,3R)-3-hydroxy-2-(icosanoylamino)hexadec-4-enyl] dihydrogen phosphate
CID 134776202
[(E,2S,3R)-3-hydroxy-2-(icosanoylamino)pentadec-4-enyl] dihydrogen phosphate
CID 134744929
(2-amino-3-hydroxyoctadec-4-enyl) (2S)-2-amino-3-hydroxypropanoate
CID 87347910
[(2S,3R)-2-(hexacos-17-enoylamino)-3-hydroxyicos-4-enyl] dihydrogen phosphate
CID 162806211

Frequently Asked Questions

What is the IUPAC name of [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate?
The IUPAC name of [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate (CID 10149938) is [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate?
The canonical SMILES for [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate is CCCCCCCCCC/C=C/[C@H](O)[C@@H](N)COP(=O)(O)O.
What is the InChIKey of [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate?
The InChIKey is LDACFZBJXUAJHJ-NOQIOLJMSA-N. The full InChI is InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15-/m0/s1.
What are the key properties of [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate?
[(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate has a molecular weight of 337.40 g/mol, XLogP of 2.87, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S,3S)-2-amino-3-hydroxypentadec-4-enyl] dihydrogen phosphate is sourced from PubChem (CID 10149938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).