Found 1 result

Search term: 8852368 (Found by CSID)
ChemSpider 2D Image | (3S,6S,9S,16S,19S,24aS)-19-Benzyl-3-[(2R)-2-butanyl]-16-[(1R)-1-hydroxyethyl]-6,9-diisopropyl-5,13,13,18-tetramethyl-12-(4-pentyn-1-yl)dodecahydro-1H,12H-pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaaza cyclodocosine-1,4,7,10,14,17,20(3H,13H)-heptone | C46H69N5O10

(3S,6S,9S,16S,19S,24aS)-19-Benzyl-3-[(2R)-2-butanyl]-16-[(1R)-1-hydroxyethyl]-6,9-diisopropyl-5,13,13,18-tetramethyl-12-(4-pentyn-1-yl)dodecahydro-1H,12H-pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaaza cyclodocosine-1,4,7,10,14,17,20(3H,13H)-heptone

  • Molecular FormulaC46H69N5O10
  • Average mass852.068 Da
  • Monoisotopic mass851.504456 Da
  • ChemSpider ID8852368

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3S,6S,9S,16S,19S,24aS)-19-Benzyl-3-[(2R)-2-butanyl]-16-[(1R)-1-hydroxyethyl]-6,9-diisopropyl-5,13,13,18-tetramethyl-12-(4-pentin-1-yl)dodecahydro-1H,12H-pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaaza cyclodocosin-1,4,7,10,14,17,20(3H,13H)-hepton [German] [ACD/IUPAC Name]
(3S,6S,9S,16S,19S,24aS)-19-Benzyl-3-[(2R)-2-butanyl]-16-[(1R)-1-hydroxyethyl]-6,9-diisopropyl-5,13,13,18-tetramethyl-12-(4-pentyn-1-yl)dodecahydro-1H,12H-pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaaza cyclodocosine-1,4,7,10,14,17,20(3H,13H)-heptone [ACD/IUPAC Name]
(3S,6S,9S,16S,19S,24aS)-19-Benzyl-3-[(2R)-2-butanyl]-16-[(1R)-1-hydroxyéthyl]-6,9-diisopropyl-5,13,13,18-tétraméthyl-12-(4-pentyn-1-yl)dodécahydro-1H,12H-pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaaza cyclodocosine-1,4,7,10,14,17,20(3H,13H)-heptone [French] [ACD/IUPAC Name]
1H,12H-Pyrrolo[2,1-l][1,10,4,7,13,16,19]dioxapentaazacyclodocosine-1,4,7,10,14,17,20(3H,13H)-heptone, dodecahydro-16-[(1R)-1-hydroxyethyl]-5,13,13,18-tetramethyl-6,9-bis(1-methylethyl)-3-[(1R)-1-methy lpropyl]-12-(4-pentyn-1-yl)-19-(phenylmethyl)-, (3S,6S,9S,16S,19S,24aS)- [ACD/Index Name]
georgamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1052.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.4±3.0 kJ/mol
Flash Point: 590.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 230.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.69
ACD/KOC (pH 5.5): 657.60
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.69
ACD/KOC (pH 7.4): 657.60
Polar Surface Area: 192 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 711.6±5.0 cm3

Click to predict properties on the Chemicalize site


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