ChemSpider 2D Image | (1Z,4E,6Z,8S,9S,10E,12S,13R,14S,16R)-21-(Diethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-2,20,22-triazatricyclo[16.6.1.0~19,23~]pentacosa-1,4,6,10,18,20,23-heptaen-9-yl carba mate | C33H47N5O7

(1Z,4E,6Z,8S,9S,10E,12S,13R,14S,16R)-21-(Diethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-2,20,22-triazatricyclo[16.6.1.019,23]pentacosa-1,4,6,10,18,20,23-heptaen-9-yl carba mate

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID8591929

  • 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

(1Z,4E,6Z,8S,9S,10E,12S,13R,14S,16R)-21-(Diethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-2,20,22-triazatricyclo[16.6.1.019,23]pentacosa-1,4,6,10,18,20,23-heptaen-9-yl carba mate [ACD/IUPAC Name]
(1Z,4E,6Z,8S,9S,10E,12S,13R,14S,16R)-21-(Diethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-2,20,22-triazatricyclo[16.6.1.019,23]pentacosa-1,4,6,10,18,20,23-heptaen-9-ylcarbam at [German] [ACD/IUPAC Name]
5,22-Methanoimidazo[4,5-d]azacycloheneicosine-7,23(3H)-dione, 13-[(aminocarbonyl)oxy]-2-(diethylamino)-12,13,16,17,18,19,20,21-octahydro-17-hydroxy-12,18-dimethoxy-8,14,16,20-tetramethyl-, (5Z,8E,10Z, 12S,13S,14E,16S,17R,18S,20R)- [ACD/Index Name]
Carbamate de (1Z,4E,6Z,8S,9S,10E,12S,13R,14S,16R)-21-(diéthylamino)-13-hydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-3,25-dioxo-2,20,22-triazatricyclo[16.6.1.019,23]pentacosa-1,4,6,10,18,20,23-hepta én-9-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: 737.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 399.6±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.01
ACD/KOC (pH 5.5): 980.54
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.45
ACD/KOC (pH 7.4): 1002.90
Polar Surface Area: 165 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 500.5±7.0 cm3

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