AG000JXW

123-78-4 | 4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-

AG000JXW

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CAS Number	123-78-4
Catalog Number	AG000JXW(AGN-PC-0O0OFT)
Chemical Name	4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-
EC Number	204-651-3
IUPAC Name	(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
InChI	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
InChI Key	WWUZIQQURGPMPG-KRWOKUGFSA-N
MDL Number	MFCD00036751
Molecular Formula	C18H37NO2
Molecular Weight	299.4919
SMILES	N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O
UNII	NGZ37HRE42
Synonyms	4 Sphingenine, 4-Sphingenine, Sphingosine, sphingosine, D-erythro-Sphingosine, 123-78-4, 4-Sphingenine, D-Sphingosine, Sphing-4-enine, cerebroside, trans-D-erythro-2-Amino-4-octadecene-1,3-diol, Sphingenine, (4E)-Sphingenine, D-erythro-Sphingosine (synthetic), 4-trans-Sphingenine, (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol, Sphingoid, UNII-NGZ37HRE42, D-erythro-C18-Sphingosine, (E)-2-Amino-4-octadecan-1,3-diol, (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, trans-4-Sphingenine, CCRIS 6899, MFCD00036751, NGZ37HRE42, (2S,3R)-2-aminooctadec-4-ene-1,3-diol, (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol, CHEBI:16393, WWUZIQQURGPMPG-KRWOKUGFSA-N, 4-octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, dl-Erythro-sphingosine, Erythro-dl-sphingosine, Sphingosine 2S, 3R, 4-Octadecene-1,3-diol, 2-amino-, (R-(R*,S*-(E)))-, (2S,3R,E)-2-aminooctadec-4-ene-1,3-diol, D-erythro-Sphingosine, Free Base, High Purity, MLS-0412588.0001, Erythro-sphingosine, (+)-, sphingosin, (4E)-sphing-4-enine, 2-Aminooctadec-4-ene-1,3-diol, 2-amino-4-octadecene-1,3-diol, SMR000857107, (2S,3R)-Sphingosine, D-erythro-Sphingosine, 99+%, synthetical, (2S,3R,4E)-2-amino-1,3-octadec-4-enediol, (-)-D-erythro-Sphingosine, c18-erythro-sphingenine, CHEMBL67166, 4-Octadecene-1,3-diol, 2-amino-, (E)-dl-erythro-, 4-Octadecene-1,3-diol, 2-amino-, [R-[R*,S*-(E)]]-, DErySphingosine, Egg Sphingosine, Erythrosphingosine, Brain Sphingosine, C18 sphingosine, C18-Sphingosine, (-)-Sphingosine, D-erythrosphingosine, SPH, EINECS 204-651-3, Sphingosine d18:1, D-Erythro-spinghosine, erythro-4-Sphingenine, (E)-D-erythro-4-octadecene-1,3-diol, AC1NQWWW, D-Sphingosine synthetic, Sphingosine (d18:1), D-Sphingosine, synthetic, erythro-C18-Sphingosine, BiomolKI_000034, BiomolKI2_000042, bmse000850, (2S,3R,E)-2-Amino-4-octadecene-1,3-diol, Sphingosine with C18 chain, Sph(d18:1), Lopac0_001049, SCHEMBL19398, BSPBio_001526, MLS001332469, MLS001332470, MLS002172450, d18:1 D-erythro-sphingosine, 4-Octadecene-1,3-diol, 2-amino-, (R*,S*-(E))-, BMK1-D10, BML3-C09, GTPL2452, SCHEMBL1471985, 4-Octadecene-1,3-diol, 2-amino-, (2R,3S,4E)-rel-, BDBM83205, CHEBI:26743, cid_5280335, 4-Octadecene-1,3-diol, 2-amino-, (R*,S*-(E))-(+)-, HMS1361M08, HMS1791M08, HMS1989M08, HMS2232M04, HMS3402M08, HMS3650M05, BCP24874, D-(+)-erytho-4-trans-Sphingenine, EX-A1428, ZINC8195650, 1711AH, 2S-Amino-4E-octadecene-1,3R-diol, EI-155, LMSP01010001, D-Sphingosine, >=98.0% (TLC), AKOS024458590, D-erythro-Sphingosine (Egg, Chicken), CCG-100638, DB03203, D-erythro-Sphingosine (Brain, Porcine), IDI1_033996, NCGC00024697-02, NCGC00024697-03, NCGC00024697-04, NCGC00024697-05, NCGC00024697-06, NCGC00024697-07, 2733-29-1, AC-28329, HY-101047, (2S,3R)-2-Amino-4-octadecene-1,3-diol, B6385, CS-0020759, S0874, (E,2S,3R)-2-amino-4-octadecene-1,3-diol, (E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol, C00319, D-Sphingosine, from bovine brain, ~99% (TLC), SR-01000597656, (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol, 4-Octadecene-1,3-diol,2-amino-, (2S,3R,4E)-, J-004983, Sphingosine (d18:1), D-erythro-sphingosine, powder, SR-01000597656-1, E66DE871-3B37-406A-891B-A804BDC7ABF9, 4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)- (9CI), 4-Octadecene-1,3-diol, 2-amino-, (E)-D-erythro- (8CI), 4-Octadecene-1,3-diol, 2-amino-, (R-(R*,S*-(E))), D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene, UNII-0Y6SVQ612Q component WWUZIQQURGPMPG-KRWOKUGFSA-N, Brain Sphingosine, D-erythro-Sphingosine (Brain, Porcine), powder, 475662-41-0, SQS, ceramide, cis-sphingosine, 4 Sphingenine, UNII-0Y6SVQ612Q, D0L0YG, C18H37NO2, 0Y6SVQ612Q, C18-H37-N-O2, CID5280335, G-1251, D013110, 4-Octadecene-1,3-diol, 2-amino-, [R*,S*-(E)]-(.+.)-, 477243-03-1,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	299.282g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	299.499g/mol
Monoisotopic Mass	299.282g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	66.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number