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6036-75-5

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Basic Information
CAS No.: 6036-75-5
Name: 4-Octadecene-1,3-diol,2-amino-, (2R,3S,4E)-
Molecular Structure:
Molecular Structure of 6036-75-5 (4-Octadecene-1,3-diol,2-amino-, (2R,3S,4E)-)
Formula: C18H37NO2
Molecular Weight: 299.49
Synonyms: L-erythro-Sphingosine;
EINECS:
Density: 0.939 g/cm3
Melting Point:
Boiling Point: 445.9 °C at 760 mmHg
Flash Point: 223.5 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 66.48000
LogP: 4.62450
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  • 4-Octadecene-1,3-diol,2-amino-, (2R,3S,4E)-

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

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    L-ERYTHRO-SPHINGOSINE

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Specification

The 4-Octadecene-1,3-diol,2-amino-, (2R,3S,4E)-, with the CAS registry number of 6036-75-5, is also known as L-erythro-Sphingosine. It belongs to the product categories of Sphing-4-enines (Sphingosines); Sphingoid bases; Sphingolipids. Its molecular formula is C18H37NO2 and molecular weight is 299.49. What's more, its systematic name is (2R,3S,4E)-2-Aminooctadec-4-ene-1,3-diol.

Physical properties about the 4-Octadecene-1,3-diol,2-amino-, (2R,3S,4E)- are: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 42.15; (6)ACD/BCF (pH 7.4): 646.09; (7)ACD/KOC (pH 5.5): 70.62; (8)ACD/KOC (pH 7.4): 1082.37; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 92.02 cm3; (15)Molar Volume: 318.7 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 223.5 °C; (19)Enthalpy of Vaporization: 81.24 kJ/mol; (20)Boiling Point: 445.9 °C at 760 mmHg; (21)Vapour Pressure: 7.96E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](/C=C/CCCCCCCCCCCCC)[C@H](N)CO
(2) InChI: InChI=1/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+/m1/s1
(3) InChIKey: WWUZIQQURGPMPG-MCXRAWCPBN