ChemSpider 2D Image | (1S,2R,3R,8R,9R,10R,13E,16S,17Z,18R)-17-(Acetylimino)-6-allyl-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,8,10,16,18-pentamethyl-5,7-dioxo-13-({[5-(1H -pyrazol-1-yl)-2-pyridinyl]methoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadec-2-yl carbamate | C46H67N7O12

(1S,2R,3R,8R,9R,10R,13E,16S,17Z,18R)-17-(Acetylimino)-6-allyl-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,8,10,16,18-pentamethyl-5,7-dioxo-13-({[5-(1H -pyrazol-1-yl)-2-pyridinyl]methoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadec-2-yl carbamate

  • Molecular FormulaC46H67N7O12
  • Average mass910.064 Da
  • Monoisotopic mass909.484741 Da
  • ChemSpider ID9839877

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1S,2R,3R,8R,9R,10R,13E,16S,17Z,18R)-17-(Acetylimino)-6-allyl-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,8,10,16,18-pentamethyl-5,7-dioxo-13-({[5-(1H -pyrazol-1-yl)-2-pyridinyl]methoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadec-2-yl carbamate [ACD/IUPAC Name]
(1S,2R,3R,8R,9R,10R,13E,16S,17Z,18R)-17-(Acetylimino)-6-allyl-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,8,10,16,18-pentamethyl-5,7-dioxo-13-({[5-(1H -pyrazol-1-yl)-2-pyridinyl]methoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadec-2-ylcarbamat [German] [ACD/IUPAC Name]
Carbamate de (1S,2R,3R,8R,9R,10R,13E,16S,17Z,18R)-17-(acétylimino)-6-allyl-9-{[(2S,3R,4S,6R)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-3-éthyl-2,8,10,16,18-pentaméthyl-5,7-diox o-13-({[5-(1H-pyrazol-1-yl)-2-pyridinyl]méthoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadéc-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 984.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.4±3.0 kJ/mol
Flash Point: 549.3±37.1 °C
Index of Refraction: 1.594
Molar Refractivity: 236.9±0.5 cm3
#H bond acceptors: 19
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 106.01
ACD/KOC (pH 7.4): 615.02
Polar Surface Area: 238 Å2
Polarizability: 93.9±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 697.8±7.0 cm3

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