ChemSpider 2D Image | (1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-7-Isobutyl-9,10,14,25-tetramethyl-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.0~2,19~.0~4,8~.0~4,12~.0~21,26~]heptacosa-10,13,21,23,25-pentaene-17,22,23,24-tetra yl tetraacetate | C41H49NO12

(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-7-Isobutyl-9,10,14,25-tetramethyl-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-17,22,23,24-tetra yl tetraacetate

  • Molecular FormulaC41H49NO12
  • Average mass747.827 Da
  • Monoisotopic mass747.325500 Da
  • ChemSpider ID40256736

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-7-Isobutyl-9,10,14,25-tetramethyl-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaen-17,22,23,24-tetray l-tetraacetat [German] [ACD/IUPAC Name]
(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-7-Isobutyl-9,10,14,25-tetramethyl-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-17,22,23,24-tetra yl tetraacetate [ACD/IUPAC Name]
10,15-Epoxy-1H-naphtho[2',3':9,10]cycloundec[1,2-d]isoindole-9,16,17(18H)-trione, 8,11,12,13-tetrakis(acetyloxy)-3a,6,7,8,9a,10,15,15a,19,19a-decahydro-1,2,5,14-tetramethyl-19-(2-methylpropyl)-, (1S,3 aS,4E,8R,9aS,10S,15R,15aS,16aS,19S,19aR)- [ACD/Index Name]
Tetraacétate de (1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-7-isobutyl-9,10,14,25-tétraméthyl-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaène-1
 7,22,23,24-tétrayle [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: 833.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.8±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 190.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1859.98
ACD/KOC (pH 5.5): 7619.23
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1859.98
ACD/KOC (pH 7.4): 7619.23
Polar Surface Area: 178 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 568.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement