Spisulosine

CAS	196497-48-0
Description	Spisulosine is an antiproliferative (antitumoral) compound of marine origin.
Synonyms	1-Deoxysphinganine
IUPAC Name	(2S,3R)-2-Aminooctadecan-3-ol
Molecular Weight	285.5
Canonical SMILES	CCCCCCCCCCCCCCCC(C(C)N)O
InChI	InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChI Key	YRYJJIXWWQLGGV-ZWKOTPCHSA-N
Boiling Point	405.3±18.0 °C
Melting Point	115-116 °C
Purity	95%+
Density	0.871±0.06 g/cm³
Complexity	184
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	285.303164868
Heavy Atom Count	20
Isomeric SMILES	CCCCCCCCCCCCCCC[C@H]([C@H](C)N)O
Monoisotopic Mass	285.303164868
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	46.2 Ų