ChemSpider 2D Image | Mitemcinal | C40H69NO12

Mitemcinal

  • Molecular FormulaC40H69NO12
  • Average mass755.975 Da
  • Monoisotopic mass755.481995 Da
  • ChemSpider ID5293473

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,4R,5R,8R,9S,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran -2-yl]oxy}-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3,7-dion [German] [ACD/IUPAC Name]
(2S,4R,5R,8R,9S,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran -2-yl]oxy}-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione [ACD/IUPAC Name]
(2S,4R,5R,8R,9S,10S,11R,12R)-5-Éthyl-11-({(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(méthyl)amino]-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-9-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran -2-yl]oxy}-4-méthoxy-2,4,8,10,12,14-hexaméthyl-6,15-dioxabicyclo[10.2.1]pentadéc-1(14)-ène-3,7-dione [French] [ACD/IUPAC Name]
154738-42-8 [RN]
6X5NRJ664L
GM 611
Mitemcinal [USAN] [Wiki]
UNII-6X5NRJ664L
MITEMCINALUM
UNII:6X5NRJ664L
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8171 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 805.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.3±6.0 kJ/mol
Flash Point: 440.8±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 199.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 11.87
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 60.54
ACD/KOC (pH 7.4): 208.96
Polar Surface Area: 152 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 649.1±5.0 cm3

Click to predict properties on the Chemicalize site


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