[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid

C19H34NO4P — CID 101386529

IUPAC[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid
SMILESCCCCCCCCc1ccc(CCC[C@](N)(CO)P(=O)(O)O)cc1
InChIInChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)10-8-15-19(20,16-21)25(22,23)24/h11-14,21H,2-10,15-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
InChIKeyUTOSVYGEHYASCG-LJQANCHMSA-N
MW371.46 g/mol
LogP3.74
Rot. Bonds13

About [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid

[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid (PubChem CID 101386529) has the molecular formula C19H34NO4P and a molecular weight of 371.46 g/mol. Its IUPAC name is [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid
PubChem CID101386529
Molecular FormulaC19H34NO4P
Molecular Weight371.46 g/mol
Exact Mass371.22
IUPAC Name[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid
SMILESCCCCCCCCc1ccc(CCC[C@](N)(CO)P(=O)(O)O)cc1
InChIInChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)10-8-15-19(20,16-21)25(22,23)24/h11-14,21H,2-10,15-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
InChIKeyUTOSVYGEHYASCG-LJQANCHMSA-N
XLogP3.74
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[3-(4-heptylphenyl)propyl]propane-1,3-diol;hydrochloride
CID 45264761
2-amino-2-[2-(4-decylphenyl)ethyl]propane-1,3-diol
CID 10595435
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
2-amino-2-[2-(4-heptylphenyl)ethyl]propane-1,3-diol;hydrochloride
CID 45261202
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrate
CID 46203920
acetic acid;2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
CID 46207226
tris(4-nonylphenol);phosphoric acid
CID 71361187
(4-pentadecylphenyl)phosphonic acid
CID 68995736
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;propanoate;hydrochloride
CID 131731260
[2-amino-2-((18F)fluoromethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
CID 54767032
2-amino-1-chloro-2-[4-(4-octylphenyl)butyl]propane-1,3-diol
CID 142628691
(4-tridecylphenyl) dihydrogen phosphate
CID 151425347

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid?
The IUPAC name of [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid (CID 101386529) is [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid.
What is the SMILES notation for [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid?
The canonical SMILES for [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid is CCCCCCCCc1ccc(CCC[C@](N)(CO)P(=O)(O)O)cc1.
What is the InChIKey of [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid?
The InChIKey is UTOSVYGEHYASCG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)10-8-15-19(20,16-21)25(22,23)24/h11-14,21H,2-10,15-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1.
What are the key properties of [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid?
[(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid has a molecular weight of 371.46 g/mol, XLogP of 3.74, 13 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-1-hydroxy-5-(4-octylphenyl)pentan-2-yl]phosphonic acid is sourced from PubChem (CID 101386529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).