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

C15H31NO2 — CID 171149174

IUPAC(2S,3R)-2-aminopentadec-4-ene-1,3-diol
SMILESCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)14(16)13-17/h11-12,14-15,17-18H,2-10,13,16H2,1H3/t14-,15+/m0/s1
InChIKeyKWQIYZIHZCLRSR-LSDHHAIUSA-N
MW257.42 g/mol
LogP2.75
Rot. Bonds12

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

(2S,3R)-2-aminopentadec-4-ene-1,3-diol (PubChem CID 171149174) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2S,3R)-2-aminopentadec-4-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-aminopentadec-4-ene-1,3-diol
PubChem CID171149174
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(2S,3R)-2-aminopentadec-4-ene-1,3-diol
SMILESCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)14(16)13-17/h11-12,14-15,17-18H,2-10,13,16H2,1H3/t14-,15+/m0/s1
InChIKeyKWQIYZIHZCLRSR-LSDHHAIUSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.75
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

(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(E)-2-aminoheptadec-4-ene-1,3-diol
CID 14767873
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 6449795
(2S,3R,4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 42608343
(2S,3S,4E,6E)-2-aminooctadeca-4,6-diene-1,3-diol
CID 42608376
(E,2S,3R)-2-amino-1-fluorooctadec-4-en-3-ol
CID 87803016
2-aminooct-4-ene-1,3-diol
CID 56625558
2-aminoethylphosphonic acid;(E)-2-aminooctadec-4-ene-1,3-diol
CID 175557375
(E,2S,3R)-2-amino-15-methylhexadec-4-ene-1,3-diol
CID 42608345
(2R,3S)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
CID 91332697
(2S,3R)-2-aminooctadecane-1,3-diol;(2S,3S,4R)-2-aminooctadecane-1,3,4-triol;(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol;(E,2S,3R,6R)-2-aminooctadec-4-ene-1,3,6-triol
CID 159496210

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminopentadec-4-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-aminopentadec-4-ene-1,3-diol (CID 171149174) is (2S,3R)-2-aminopentadec-4-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-aminopentadec-4-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-aminopentadec-4-ene-1,3-diol is CCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-aminopentadec-4-ene-1,3-diol?
The InChIKey is KWQIYZIHZCLRSR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)14(16)13-17/h11-12,14-15,17-18H,2-10,13,16H2,1H3/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-2-aminopentadec-4-ene-1,3-diol?
(2S,3R)-2-aminopentadec-4-ene-1,3-diol has a molecular weight of 257.42 g/mol, XLogP of 2.75, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminopentadec-4-ene-1,3-diol is sourced from PubChem (CID 171149174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).