4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, sulfate (2:1)
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4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, sulfate (2:1)
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CAS No:
56607-20-6
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Formula:
C18H37NO2.1/2H2O4S
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Chemical Name:
4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, sulfate (2:1)
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Synonyms:
4-Octadecene-1,3-diol,2-amino-,(2S,3R,4E)-,sulfate (2:1);4-Octadecene-1,3-diol,2-amino-,[R-[R*,S*-(E)]]-,sulfate (2:1) (salt);4-Octadecene-1,3-diol,2-amino-,(2S,3R,4E)-,sulfate (2:1) (salt);Sphingenine sulfate;C18-Sphingosine sulfate
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CAS No:
4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, sulfate (2:1) Basic Attributes
341.46
341.18700
260-281-2
Characteristics
149.46000
3.49210
429.8ºC at 760 mmHg
213.7ºC
acetonitrile: methanol (9:1): 25 mg/mL, slightly hazy, faintly yellow
−20°C
Computed Properties
Molecular Weight:693.0
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:30
Exact Mass:692.50093843
Monoisotopic Mass:692.50093843
Topological Polar Surface Area:210
Heavy Atom Count:47
Complexity:335
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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Benzonitrile, 2-amino-, sulfate (1:1)
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Phenol, 2-amino-, sulfate (2:1)
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Ethanol, 2-amino-, sulfate (2:1)
20261-59-0
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Acetonitrile, 2-amino-, sulfate (1:1) Formula
151-63-3
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Acetonitrile, 2-amino-, sulfate (2:1) Formula
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Ethanol, 2-amino-, compd. with decyl hydrogen sulfate (1:1) Formula
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4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-, sulfate (2:1)
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