ChemSpider 2D Image | (2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl alpha-D-mannopyranosyl-(1->4)-6-O-{hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}-beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside | C63H122N2O21P

(2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl α-D-mannopyranosyl-(1->4)-6-O-{hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}-β-D-galactopyranosyl-(1->6)-β-D-galactopyranoside

  • Molecular FormulaC63H122N2O21P
  • Average mass1274.617 Da
  • Monoisotopic mass1273.827271 Da
  • ChemSpider ID10128312

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl α-D-mannopyranosyl-(1->4)-6-O-{hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}-β-D-galactopyranosyl-(1->6)-β-D-galactopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl-α-D-mannopyranosyl-(1->4)-6-O-{hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}-β-D-galactopyranosyl-(1->6)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->4)-6-O-{hydroxy[2-(triméthylammonio)éthoxy]phosphoryl}-β-D-galactopyranosyl-(1->6)-β-D-galactopyranoside de (2S,3R,4E)-2-(docosanoylamino)-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2S,3R,4E)-3-hydroxy-2-[(1-oxodocosyl)amino]-4-octadecen-1-yl O-α-D-mannopyranosyl-(1->4)-O-6-O-[hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]-β-D-galactopyranosyl-(1 ->6)- [ACD/Index Name]
Cholinephosphorylmannosylneogalabiaosylceramide
PGL3a

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

C13937 [DBID]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 4
ACD/LogP: 10.10
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 62116.19
ACD/KOC (pH 5.5): 138921.61
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 62118.30
ACD/KOC (pH 7.4): 138926.34
Polar Surface Area: 352 Å2
Polarizability:
Surface Tension:
Molar Volume:

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