ChemSpider 2D Image | [38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phospha
te | C92H183O14P

[38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phospha te

  • Molecular FormulaC92H183O14P
  • Average mass1544.403 Da
  • Monoisotopic mass1543.334595 Da
  • ChemSpider ID29273192
  • defined stereocentres - 6 of 24 defined stereocentres


More details:






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

[38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phospha te [ACD/IUPAC Name]
[38-(Hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methyl-(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de [38-(hydroxyméthyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadécaméthyl-1,4,37,40-tétraoxacyclodoheptacontan-2-yl]méthyle et de (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydro xycyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, [38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pe ntahydroxycyclohexyl ester [ACD/Index Name]
119516-68-6 [RN]
gentiobiosylcaldarchaetidylinositol
Glcp-β-1'-6'Glcp-β-1'-1caldarchaetidylinositol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1211.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 203.0±6.0 kJ/mol
Flash Point: 686.5±37.1 °C
Index of Refraction: 1.504
Molar Refractivity: 451.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 37.31
ACD/LogD (pH 5.5): 28.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 27.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 224 Å2
Polarizability: 178.9±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 1525.6±5.0 cm3

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