2-amino-2-icosylpropane-1,3-diol

C23H49NO2 — CID 10571288

IUPAC2-amino-2-icosylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C23H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24,21-25)22-26/h25-26H,2-22,24H2,1H3
InChIKeyQVVLIPFVCINIAE-UHFFFAOYSA-N
MW371.65 g/mol
LogP6.10
Rot. Bonds21

About 2-amino-2-icosylpropane-1,3-diol

2-amino-2-icosylpropane-1,3-diol (PubChem CID 10571288) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-amino-2-icosylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-icosylpropane-1,3-diol
PubChem CID10571288
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC Name2-amino-2-icosylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C23H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24,21-25)22-26/h25-26H,2-22,24H2,1H3
InChIKeyQVVLIPFVCINIAE-UHFFFAOYSA-N
XLogP6.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-Methylhexadecasphinganine
CID 70679000
1,3-Propanediol, 2-amino-2-tetradecyl-
CID 9860720
2-Amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-Amino-2-dodecylpropane-1,3-diol
CID 10539234
2-Amino-2-decylpropane-1,3-diol
CID 10633304
2-Amino-2-hexadecylpropane-1,3-diol
CID 10663185
2-Amino-2-octadecylpropane-1,3-diol
CID 10712432
2-Amino-2-tridecylpropane-1,3-diol
CID 10849886
(3R,4R)-2-amino-2-(hydroxymethyl)icosane-1,3,4-triol
CID 10499723
2-Amino-2-docosylpropane-1,3-diol
CID 10810970
2-Amino-2-octylpropane-1,3-diol
CID 10845836
(1S,3S)-1-(1-aminocyclopropyl)hexadecane-1,3-diol
CID 70685989

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-icosylpropane-1,3-diol?
The IUPAC name of 2-amino-2-icosylpropane-1,3-diol (CID 10571288) is 2-amino-2-icosylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-icosylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-icosylpropane-1,3-diol is CCCCCCCCCCCCCCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-icosylpropane-1,3-diol?
The InChIKey is QVVLIPFVCINIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24,21-25)22-26/h25-26H,2-22,24H2,1H3.
What are the key properties of 2-amino-2-icosylpropane-1,3-diol?
2-amino-2-icosylpropane-1,3-diol has a molecular weight of 371.65 g/mol, XLogP of 6.10, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-icosylpropane-1,3-diol is sourced from PubChem (CID 10571288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).