ChemSpider 2D Image | N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]-4-octadecen-2-yl}dodecanamide | C36H69NO11S

N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadecen-2-yl}dodecanamide

  • Molecular FormulaC36H69NO11S
  • Average mass723.998 Da
  • Monoisotopic mass723.459106 Da
  • ChemSpider ID35035876

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

852100-88-0 [RN]
Dodecanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]dodecanamide
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadecen-2-yl}dodecanamid [German] [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadecen-2-yl}dodecanamide [ACD/IUPAC Name]
N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]-4-octadécén-2-yl}dodécanamide [French] [ACD/IUPAC Name]
N-{(2s,3r,4e)-3-Hydroxy-1-[(3-O-Sulfo-β-D-Galactopyranosyl)oxy]octadec-4-En-2-Yl}dodecanamide
(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-β-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE
C12 3'-sulfo Galactosylceramide (d18:1/12:0)
cis
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 192.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 11.32
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 603.37
ACD/KOC (pH 5.5): 344.51
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 603.36
ACD/KOC (pH 7.4): 344.51
Polar Surface Area: 200 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 621.4±5.0 cm3

Click to predict properties on the Chemicalize site


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