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86555-28-4 | D-erythro-Sphingosine C-15
CAS No: 86555-28-4 Catalog No: AG004PKY MDL No:MFCD18427932
Product Description
Catalog Number:
AG004PKY
Chemical Name:
D-erythro-Sphingosine C-15
CAS Number:
86555-28-4
Molecular Formula:
C15H31NO2
Molecular Weight:
257.4121
MDL Number:
MFCD18427932
IUPAC Name:
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
InChI:
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/b12-11+/t14-,15+/m0/s1
InChI Key:
KWQIYZIHZCLRSR-AMXOMPAFSA-N
SMILES:
CCCCCCCCCC/C=C/C([C@H](CO)N)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
257.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.418g/mol
Monoisotopic Mass:
257.235g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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