ChemSpider 2D Image | N-{(1E,4R,5R,8S,9S)-11-[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34Z,37S)-25-{(2S,3S,7R,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-1
1,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.1~18,21~]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaen-5-yl]-4,9-dimethoxy-5,8-dimethyl-6-o
xo-1-undecen-1-yl}-N-methylformamide | C78H124N4O22

N-{(1E,4R,5R,8S,9S)-11-[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34Z,37S)-25-{(2S,3S,7R,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-1 1,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.118,21]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaen-5-yl]-4,9-dimethoxy-5,8-dimethyl-6-o xo-1-undecen-1-yl}-N-methylformamide

  • Molecular FormulaC78H124N4O22
  • Average mass1469.833 Da
  • Monoisotopic mass1468.870728 Da
  • ChemSpider ID74171446
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres


More details:






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

Formamide, N-[(1E,4R,5R,9S,10S)-11-[(3S,5S,9S,11R,12E,14Z,17S,23S,25S,29S,31R,32E,34E,37S)-25-[(3S,4S,7R,8R,10E)-11-(formylmethylamino)-3,8-dimethoxy-4,7-dimethyl-6-oxo-10-undecen-1-yl]-3,9,23,29-tetr ;ahydroxy-11,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.118,21]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaen-5-yl]-4,10-dimethoxy-5,9-d imethyl-6-oxo-1-undecen-1-yl]-N-methyl- [ACD/Index Name]
N-{(1E,4R,5R,8S,9S)-11-[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34Z,37S)-25-{(2S,3S,7R,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-1 ;1,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.118,21]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaen-5-yl]-4,9-dimethoxy-5,8-dimethyl-6-o 
xo-1-undecen-1-yl}-N-methylformamid [German] [ACD/IUPAC Name]
N-{(1E,4R,5R,8S,9S)-11-[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34Z,37S)-25-{(2S,3S,7R,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-1 ;1,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.118,21]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaen-5-yl]-4,9-dimethoxy-5,8-dimethyl-6-o 
xo-1-undecen-1-yl}-N-methylformamide [ACD/IUPAC Name]
N-{(1E,4R,5R,8S,9S)-11-[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34Z,37S)-25-{(2S,3S,7R,8R,10E)-11-[Formyl(méthyl)amino]-2,8-diméthoxy-3,7-diméthyl-6-oxo-10-undécén-1-yl}-3,9,23,29-tétrahydroxy-1 ;1,17,31,37-tétraméthoxy-4,4,24,24-tétraméthyl-7,27-dioxo-6,20,26,40-tétraoxa-41,42-diazatricyclo[36.2.1.118,21]dotétraconta-1(41),12,14,18,21(42),32,34,38-octaén-5-yl]-4,9-diméthoxy-5,8-diméthyl-6-o 
xo-1-undécén-1-yl}-N-méthylformamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1288.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.2±3.0 kJ/mol
Flash Point: 733.2±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 394.9±0.4 cm3
#H bond acceptors: 26
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2103.80
ACD/KOC (pH 5.5): 8320.89
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2104.35
ACD/KOC (pH 7.4): 8323.08
Polar Surface Area: 334 Å2
Polarizability: 156.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 1247.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement