[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

C18H38NO5P — CID 5280903

IUPAC[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
SMILESCCCCCCCCCCCCC/C=C\C(O)C(N)COP(=O)(O)O
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
InChIKeyDUYSYHSSBDVJSM-PFONDFGASA-N
MW379.48 g/mol
LogP4.04
Rot. Bonds17

About [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (PubChem CID 5280903) has the molecular formula C18H38NO5P and a molecular weight of 379.48 g/mol. Its IUPAC name is [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
PubChem CID5280903
Molecular FormulaC18H38NO5P
Molecular Weight379.48 g/mol
Exact Mass379.25
IUPAC Name[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
SMILESCCCCCCCCCCCCC/C=C\C(O)C(N)COP(=O)(O)O
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
InChIKeyDUYSYHSSBDVJSM-PFONDFGASA-N
XLogP4.04
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate?
The IUPAC name of [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (CID 5280903) is [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate.
What is the SMILES notation for [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate?
The canonical SMILES for [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate is CCCCCCCCCCCCC/C=C\C(O)C(N)COP(=O)(O)O.
What is the InChIKey of [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate?
The InChIKey is DUYSYHSSBDVJSM-PFONDFGASA-N. The full InChI is InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-.
What are the key properties of [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate?
[(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate has a molecular weight of 379.48 g/mol, XLogP of 4.04, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate is sourced from PubChem (CID 5280903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).