ChemSpider 2D Image | Methyl [(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-27-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5S,6R)-6-hydroxy-5-{[(2S,4R,5R,6S)-4-hydroxy-5-methoxy-6-methylt etrahydro-2H-pyran-2-yl]oxy}-4-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22 ~.0~16,21~]heptacosa-4,7,11,14,24(27)-pentaen-9-yl]oxy}-2,4-dimethyltetrahydro-2H-pyran-3-yl]carbamate (non-preferred name) | C61H91NO20

Methyl [(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-27-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5S,6R)-6-hydroxy-5-{[(2S,4R,5R,6S)-4-hydroxy-5-methoxy-6-methylt etrahydro-2H-pyran-2-yl]oxy}-4-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22 .016,21]heptacosa-4,7,11,14,24(27)-pentaen-9-yl]oxy}-2,4-dimethyltetrahydro-2H-pyran-3-yl]carbamate (non-preferred name)

  • Molecular FormulaC61H91NO20
  • Average mass1158.370 Da
  • Monoisotopic mass1157.613403 Da
  • ChemSpider ID40256826

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 27 of 27 defined stereocentres

More details:

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 296.4±0.4 cm3
#H bond acceptors: 21
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1100.66
ACD/KOC (pH 5.5): 2649.90
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 18.98
ACD/KOC (pH 7.4): 45.70
Polar Surface Area: 286 Å2
Polarizability: 117.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 872.6±5.0 cm3

Click to predict properties on the Chemicalize site


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