2-Amino-1,3,4-octadecanetriol

2-Amino-1,3,4-octadecanetriol
Compound Structure:
Synonyms: 2-aminooctadecane-1,3,4-triol;13552-11-9;4-hydroxysphinganine (Saccharomyces Cerevisiae);D-ribo-Phytosphingosine-13C2,d2;4-hydroxysphinganine;1,3,4-Octadecanetriol,2-amino-
Compound ID: NMPC-216
PubChem ID:

248575
Molecular Formula: C18H39NO3
Canonical SMILES: CCCCCCCCCCCCCCC(C(C(CO)N)O)O
InChIKey: AERBNCYCJBRYDG-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

317.5 g/mol

XLogP3-AA

4.6

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

16

Exact Mass

317.29299411 g/mol

Monoisotopic Mass

317.29299411 g/mol

Topological Polar Surface Area

86.7Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

226

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Sclerocarya birrea spp caffra
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