CAS No.103348-49-8,(2S,3R,4E)-2-AZIDO-4-OCTADECENE-1,3-DIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103348-49-8
Name:	(2S,3R,4E)-2-AZIDO-4-OCTADECENE-1,3-DIOL
Article Data:	27

Formula:	C₁₈H₃₅N₃O₂
Molecular Weight:	325.495
Synonyms:	4-Octadecene-1,3-diol,2-azido-, [R-[R,S-(E)]]-;(2S,3R,4E)-2-Azido-1,3-dihydroxy-4-octadecene;[R-[R,S-(E)]]-2-Azido-4-octadecene-1,3-diol;
Melting Point:	53-54 ºC
Appearance:	White to Off-White Solid
PSA:	90.21000
LogP:	4.72856

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Specification

The 4-Octadecene-1,3-diol,2-azido-, (2S,3R,4E)-, with the CAS registry number 103348-49-8, is also known as (2S,3R,4E)-2-Azidooctadec-4-ene-1,3-diol. It belongs to the product categories of Mixed Fatty Acids; Fatty Acid Derivatives & Lipids; Glycerols; Inhibitors; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C₁₈H₃₅N₃O₂ and molecular weight is 325.49. What's more, its IUPAC name is called (E,2S,3R)-2-Azidooctadec-4-ene-1,3-diol. It can be used as a derivative of Sphingosine, a selective inhibitor of protein kinase C activity and phorbol dibutyrate binding in vitro in human platelets.

Physical properties about 4-Octadecene-1,3-diol,2-azido-, (2S,3R,4E)- are: (1)ACD/LogP: 7.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.29; (4)ACD/LogD (pH 7.4): 7.29; (5)ACD/BCF (pH 5.5): 205866.53; (6)ACD/BCF (pH 7.4): 205866.08; (7)ACD/KOC (pH 5.5): 221330.02; (8)ACD/KOC (pH 7.4): 221329.53; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 30.82 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [N-]=[N+]=N\[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO
(2) InChI: InChI=1/C18H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)17(16-22)20-21-19/h14-15,17-18,22-23H,2-13,16H2,1H3/b15-14+/t17-,18+/m0/s1
(3) InChIKey: XAPVDQFHDYWVTA-KRWOKUGFBJ