[(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride

C19H44ClNO — CID 159353253

About [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride

[(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride (PubChem CID 159353253) has the molecular formula C19H44ClNO and a molecular weight of 338.02 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride.

Molecular Properties

• Compound Name: [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride
• PubChem CID: 159353253
• Molecular Formula: C19H44ClNO
• Molecular Weight: 338.02 g/mol
• Exact Mass: 337.31
• IUPAC Name: [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@H](C)[NH3+].[Cl-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H11NO.ClH.16H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18(2)20;;;;;;;;;;;;;;;;;/h17-19,21H,1,20H2,2H3;17*1H/t18-,19-;;;;;;;;;;;;;;;;;/m0................./s1
• InChIKey: PPTHLGFJAWOFQM-SMNGNJKESA-N
• XLogP: 2.28
• TPSA: 47.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.02
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride?

The IUPAC name of [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride (CID 159353253) is [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride.

What is the SMILES notation for [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride?

The canonical SMILES for [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@H](C)[NH3+].[Cl-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride?

The InChIKey is PPTHLGFJAWOFQM-SMNGNJKESA-N. The full InChI is InChI=1S/C19H11NO.ClH.16H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18(2)20;;;;;;;;;;;;;;;;;/h17-19,21H,1,20H2,2H3;17*1H/t18-,19-;;;;;;;;;;;;;;;;;/m0................./s1.

What are the key properties of [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride?

[(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride has a molecular weight of 338.02 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride is sourced from PubChem (CID 159353253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).