ChemSpider 2D Image | N-{(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-{(2S,3S,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-11,17,31,37-t etramethoxy-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]-4,10-dimethoxy-5,9-dimethyl-6-oxo-1-undece n-1-yl}-N-methylformamide | C78H124N4O22

N-{(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-{(2S,3S,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-11,17,31,37-t etramethoxy-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-dimethyl-6-oxo-1-undece n-1-yl}-N-methylformamide

  • Molecular FormulaC78H124N4O22
  • Average mass1469.833 Da
  • Monoisotopic mass1468.870728 Da
  • ChemSpider ID28285594

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 18 defined stereocentres

More details:

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Formamide, N-[(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-[(2S,3S,8R,10E)-11-(formylmethylamino)-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl]-3,9,23,29-tetrahydroxy-11,1 ;7,31,37-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-dimethyl-6-oxo -1-undecen-1-yl]-N-methyl- [ACD/Index Name]
N-{(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-{(2S,3S,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-11,17,31,37-t ;etramethoxy-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-dimethyl-6-oxo-1-undece n-1-yl}-N-methylformamid [German] [ACD/IUPAC Name]
N-{(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-{(2S,3S,8R,10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-3,9,23,29-tetrahydroxy-11,17,31,37-t ;etramethoxy-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-dimethyl-6-oxo-1-undece n-1-yl}-N-methylformamide [ACD/IUPAC Name]
N-{(1E,4R,5R,10S)-11-[(5S,9S,11R,12E,14E,17S,25S,29S,31R,32E,34E,37S)-25-{(2S,3S,8R,10E)-11-[Formyl(méthyl)amino]-2,8-diméthoxy-3,7-diméthyl-6-oxo-10-undécén-1-yl}-3,9,23,29-tétrahydroxy-11,17,31,37-t ;étraméthoxy-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]-4,10-diméthoxy-5,9-diméthyl-6-oxo-1-undécé n-1-yl}-N-méthylformamide [French] [ACD/IUPAC Name]
Rhizopodin

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: 2.44
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1979.12
ACD/KOC (pH 5.5): 7964.86
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1979.64
ACD/KOC (pH 7.4): 7966.95
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

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