ChemSpider 2D Image | (1R,3R,4R,7R,8S,9S,10R,11R,15R)-10-({(2S,3R,4S,6R)-3-Hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-3-[(1R)-1-hydroxypropyl]-3,7,9,11,13,15-hexamethyl-2,5,14-trioxatricyclo[9.2.1.1~1,4~]pentadecan-6-one | C39H69NO12

(1R,3R,4R,7R,8S,9S,10R,11R,15R)-10-({(2S,3R,4S,6R)-3-Hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ]oxy}-3-[(1R)-1-hydroxypropyl]-3,7,9,11,13,15-hexamethyl-2,5,14-trioxatricyclo[9.2.1.11,4]pentadecan-6-one

  • Molecular FormulaC39H69NO12
  • Average mass743.965 Da
  • Monoisotopic mass743.481995 Da
  • ChemSpider ID8007629

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(1R,3R,4R,7R,8S,9S,10R,11R,15R)-10-({(2S,3R,4S,6R)-3-Hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ;]oxy}-3-[(1R)-1-hydroxypropyl]-3,7,9,11,13,15-hexamethyl-2,5,14-trioxatricyclo[9.2.1.11,4]pentadecan-6-on [German] [ACD/IUPAC Name]
(1R,3R,4R,7R,8S,9S,10R,11R,15R)-10-({(2S,3R,4S,6R)-3-Hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl ;]oxy}-3-[(1R)-1-hydroxypropyl]-3,7,9,11,13,15-hexamethyl-2,5,14-trioxatricyclo[9.2.1.11,4]pentadecan-6-one [ACD/IUPAC Name]
(1R,3R,4R,7R,8S,9S,10R,11R,15R)-10-({(2S,3R,4S,6R)-3-Hydroxy-4-[isopropyl(méthyl)amino]-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-8-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl ;]oxy}-3-[(1R)-1-hydroxypropyl]-3,7,9,11,13,15-hexaméthyl-2,5,14-trioxatricyclo[9.2.1.11,4]pentadécan-6-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 795.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 435.1±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 194.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 5.78
ACD/KOC (pH 7.4): 38.77
Polar Surface Area: 155 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 623.4±5.0 cm3

Click to predict properties on the Chemicalize site


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