Found 13 results

Search term: MF = 'C_{44}H_{55}N_{3}O_{9}'
ChemSpider 2D Image | (1S,2S,6S,7R,10R,13S)-N-{(2R)-1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenyl-2-propanyl}-N-methyl-9-oxo-11-(4-{[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0~4,6~]dodec-9-ylidene]methyl}benzyl)-3,5,8, 12-tetraoxa-11-azatetracyclo[5.5.2.0~2,6~.0~10,13~]tetradecane-13-carboxamide | C44H55N3O9

(1S,2S,6S,7R,10R,13S)-N-{(2R)-1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenyl-2-propanyl}-N-methyl-9-oxo-11-(4-{[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene]methyl}benzyl)-3,5,8, 12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide

  • Molecular FormulaC44H55N3O9
  • Average mass769.922 Da
  • Monoisotopic mass769.393860 Da
  • ChemSpider ID5148197

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1S,2S,6S,7R,10R,13S)-N-{(2R)-1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenyl-2-propanyl}-N-methyl-9-oxo-11-(4-{[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-yliden]methyl}benzyl)-3,5,8,1 2-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecan-13-carboxamid [German] [ACD/IUPAC Name]
(1S,2S,6S,7R,10R,13S)-N-{(2R)-1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenyl-2-propanyl}-N-methyl-9-oxo-11-(4-{[(1R,4R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene]methyl}benzyl)-3,5,8, 12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide [ACD/IUPAC Name]
(1S,2S,6S,7R,10R,13S)-N-{(2R)-1-[(2-Hydroxyéthyl)amino]-1-oxo-3-phényl-2-propanyl}-N-méthyl-9-oxo-11-(4-{[(1R,4R,10S)-4,12,12-triméthyl-5-oxatricyclo[8.2.0.04,6]dodéc-9-ylidène]méthyl}benzyl)-3,5,8, 12-tétraoxa-11-azatétracyclo[5.5.2.02,6.010,13]tétradécane-13-carboxamide [French] [ACD/IUPAC Name]
5,3-(Epoxymethano)[1,3]dioxolo[4,5-g]-1,2-benzisoxazole-3a(4H)-carboxamide, hexahydro-N-[(1R)-2-[(2-hydroxyethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-N-methyl-10-oxo-2-[[4-[[(1R,4R,10S)-4,12,12-trimeth ;yl-5-oxatricyclo[8.2.0.04,6]dodec-9-ylidene]methyl]phenyl]methyl]-, (3R,3aS,5R,5aS,8aS,8bS)- [ACD/Index Name]
SAD-E_002531

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 207.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2644.01
ACD/KOC (pH 5.5): 9800.58
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2644.01
ACD/KOC (pH 7.4): 9800.57
Polar Surface Area: 139 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 599.3±3.0 cm3

Click to predict properties on the Chemicalize site


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