ChemSpider 2D Image | (2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R)-19-(Allylamino)-3-hydroxy-8,14-dimethoxy-4,10,12,13,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl hydrogen carbonimidate | C32H45N3O7

(2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R)-19-(Allylamino)-3-hydroxy-8,14-dimethoxy-4,10,12,13,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl hydrogen carbonimidate

  • Molecular FormulaC32H45N3O7
  • Average mass583.716 Da
  • Monoisotopic mass583.325745 Da
  • ChemSpider ID57642917
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R)-19-(Allylamino)-3-hydroxy-8,14-dimethoxy-4,10,12,13,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl hydrogen carbonimidate [ACD/IUPAC Name]
(2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R)-19-(Allylamino)-3-hydroxy-8,14-dimethoxy-4,10,12,13,16-pentamethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-ylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-2,4,6,10,18,21-hexaene-20,22-dione, 3-hydroxy-9-(hydroxyiminomethoxy)-8,14-dimethoxy-4,10,12,13,16-pentamethyl-19-(2-propen-1-ylamino)-, (2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R) - [ACD/Index Name]
Hydrogénocarbonimidate de (2E,4Z,6Z,8R,9R,10Z,12R,13S,14R,16R)-19-(allylamino)-3-hydroxy-8,14-diméthoxy-4,10,12,13,16-pentaméthyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaén-9-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 717.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.552
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 23.69
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 151 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 497.6±7.0 cm3

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