(2S,3R)-2-aminotetradec-4-ene-1,3-diol

C14H29NO2 — CID 71356651

IUPAC(2S,3R)-2-aminotetradec-4-ene-1,3-diol
SMILESCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/t13-,14+/m0/s1
InChIKeyVDRZDTXJMRRVMF-UONOGXRCSA-N
MW243.39 g/mol
LogP2.36
Rot. Bonds11

About (2S,3R)-2-aminotetradec-4-ene-1,3-diol

(2S,3R)-2-aminotetradec-4-ene-1,3-diol (PubChem CID 71356651) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S,3R)-2-aminotetradec-4-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-aminotetradec-4-ene-1,3-diol
PubChem CID71356651
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S,3R)-2-aminotetradec-4-ene-1,3-diol
SMILESCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/t13-,14+/m0/s1
InChIKeyVDRZDTXJMRRVMF-UONOGXRCSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sphingosine
CID 5280335
Sphingosine 1-Phosphate
CID 5283560
(2S,3R,4E)-2-ammonio-3-hydroxyoctadec-4-en-1-yl phosphate
CID 46878582
(E)-2-aminooctadec-4-ene-1,3-diol
CID 5353955
[(E,2S,3R)-2-Azaniumyl-3-hydroxyoctadec-4-enyl] hydrogen phosphate
CID 10883396
cis-Sphingosine
CID 6604741
C17 Sphingosine
CID 5283557
(2S,3R,4E)-2-Amino-4-pentadecene-1,3-diol 1-Phosphate
CID 44406004
{[(4Z)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}phosphonic acid
CID 5280903
2-Aminooctadec-4-ene-1,3-diol
CID 1104
Npc317836
CID 46878424
(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
CID 5326412

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminotetradec-4-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-aminotetradec-4-ene-1,3-diol (CID 71356651) is (2S,3R)-2-aminotetradec-4-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-aminotetradec-4-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-aminotetradec-4-ene-1,3-diol is CCCCCCCCCC=C[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-aminotetradec-4-ene-1,3-diol?
The InChIKey is VDRZDTXJMRRVMF-UONOGXRCSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-aminotetradec-4-ene-1,3-diol?
(2S,3R)-2-aminotetradec-4-ene-1,3-diol has a molecular weight of 243.39 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminotetradec-4-ene-1,3-diol is sourced from PubChem (CID 71356651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).