ChemSpider 2D Image | N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-methoxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyltetrahy dro-2H-pyran-2-yl]oxy}-2-propanyl]amino}-1-o | C85H150N4O27

N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-methoxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyltetrahy dro-2H-pyran-2-yl]oxy}-2-propanyl]amino}-1-o

  • Molecular FormulaC85H150N4O27
  • Average mass1660.111 Da
  • Monoisotopic mass1659.048706 Da
  • ChemSpider ID26331590

  • defined stereocentres - 28 of 31 defined stereocentres

More details:

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

N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-methoxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyltetrahy dro-2H-pyran-2-yl]oxy}-2-propanyl]amino}-1-o [ACD/IUPAC Name]
N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-methoxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyltetrahy dro-2H-pyran-2-yl]oxy}-2-propanyl]amino}-1-o [German] [ACD/IUPAC Name]
N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-méthoxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-méthoxy-6-méthyltétrahydr o-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-diméthoxy-6-méthyltétrahy dro-2H-pyran-2-yl]oxy}-2-propanyl]amino}-1-o [French] [ACD/IUPAC Name]
GPL-4
Mycobacterium avium serocomplex glycopeptidolipid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1453.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 233.1±3.0 kJ/mol
Flash Point: 832.9±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 435.0±0.4 cm3
#H bond acceptors: 31
#H bond donors: 13
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 4
ACD/LogP: 17.83
ACD/LogD (pH 5.5): 12.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 428 Å2
Polarizability: 172.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 1354.4±5.0 cm3

Click to predict properties on the Chemicalize site


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