D-erythro-Sphingosine-C19 - CAS 31148-92-2

Catalog:	BB075717
Product Name:	D-erythro-Sphingosine-C19
CAS:	31148-92-2
Synonyms:	(E)-D-erythro-2-Amino-4-nonadecene-1,3-diol; [R-[R,S-(E)]]-2-Amino-4-nonadecene-1,3-diol; C19-Sphingosine

Technical Data

IUPAC Name:	(E,2S,3R)-2-aminononadec-4-ene-1,3-diol
Description:	D-erythro-Sphingosine-C19 is a shingolipid found in rat mucosal cerebrosides and in the surface membrane of Tetrahymena pyriformis NT-1.
Molecular Weight:	313.52
Molecular Formula:	C19H39NO2
Canonical SMILES:	CCCCCCCCCCCCCCC=CC(C(CO)N)O
InChI:	InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)18(20)17-21/h15-16,18-19,21-22H,2-14,17,20H2,1H3/b16-15+/t18-,19+/m0/s1
InChI Key:	RYLBRSKITMRIJM-OVMWUVNSSA-N
References:	Yurkowski, M., Walker, B.L. BBA- Lipids Lipid Met., 218, 378 (1970); Kaya, K., et. al. J. Lipid Res., 25, 68 (1984).

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	1
Exact Mass:	313.298079487
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	313.298079487
Rotatable Bond Count:	16
Topological Polar Surface Area:	66.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.8