ChemSpider 2D Image | (2S,3R,4E)-2-Amino-3-hydroxy(16,16,17,17,18,18,18-~2~H_7_)-4-octadecen-1-yl beta-D-threo-hexopyranoside | C24H40D7NO7

(2S,3R,4E)-2-Amino-3-hydroxy(16,16,17,17,18,18,18-2H7)-4-octadecen-1-yl β-D-threo-hexopyranoside

  • Molecular FormulaC24H40D7NO7
  • Average mass468.676 Da
  • Monoisotopic mass468.379181 Da
  • ChemSpider ID98645500

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4E)-2-Amino-3-hydroxy(16,16,17,17,18,18,18-2H7)-4-octadecen-1-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino-3-hydroxy(16,16,17,17,18,18,18-2H7)-4-octadecen-1-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de (2S,3R,4E)-2-amino-3-hydroxy(16,16,17,17,18,18,18-2H7)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, (2S,3R,4E)-2-amino-3-hydroxy-4-octadecen-1-yl-16,16,17,17,18,18,18-d7 [ACD/Index Name]
2315262-31-6 [RN]
Galactosyl(β) Sphingosine-d7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 355.6±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 49.09
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 279.25
ACD/KOC (pH 7.4): 1662.95
Polar Surface Area: 146 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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