ChemSpider 2D Image | (2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-Benzyl-24-[(2S)-2-butanyl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12, 23,26,28,31,34-hexaazatricyclo[15.9.8.2~2,5~]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide | C51H71N7O16

(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-Benzyl-24-[(2S)-2-butanyl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12, 23,26,28,31,34-hexaazatricyclo[15.9.8.22,5]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide

  • Molecular FormulaC51H71N7O16
  • Average mass1038.147 Da
  • Monoisotopic mass1037.495728 Da
  • ChemSpider ID35516887

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-Benzyl-24-[(2S)-2-butanyl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12, ;23,26,28,31,34-hexaazatricyclo[15.9.8.22,5]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamid [German] [ACD/IUPAC Name]
(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-Benzyl-24-[(2S)-2-butanyl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12, ;23,26,28,31,34-hexaazatricyclo[15.9.8.22,5]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide [ACD/IUPAC Name]
(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-Benzyl-24-[(2S)-2-butanyl]-8-hydroxy-32-[(1S)-1-hydroxyéthyl]-8-(hydroxyméthyl)-7,20,28-triméthyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12, ;23,26,28,31,34-hexaazatricyclo[15.9.8.22,5]hexatriaconta-2,4,9,35-tétraén-21-yl]-3-hydroxy-2,4-diméthylpentanamide [French] [ACD/IUPAC Name]
Pentanamide, 3-hydroxy-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-24-[(1S)-1-methylpropyl]-11,14,18,22,25,27,30,33-octaoxo-29-(phen ;ylmethyl)-6,15,19-trioxa-12,23,26,28,31,34-hexaazatricyclo[15.9.8.22,5]hexatriaconta-2,4,9,35-tetraen-21-yl]-2,4-dimethyl-, (2R,3R)- [ACD/Index 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: 1403.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 223.4±3.0 kJ/mol
Flash Point: 802.3±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 265.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.91
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 338 Å2
Polarizability: 105.4±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 769.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement