ChemSpider 2D Image | (2S,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-6,11-dimethyl-4,7,10,13-tetraoxo-2-({[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,6,9,12-tetraazapentadecan-1-amide (non -preferred name) | C32H44N6O11

(2S,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-6,11-dimethyl-4,7,10,13-tetraoxo-2-({[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,6,9,12-tetraazapentadecan-1-amide (non -preferred name)

  • Molecular FormulaC32H44N6O11
  • Average mass688.725 Da
  • Monoisotopic mass688.306824 Da
  • ChemSpider ID17267065

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-6,11-dimethyl-4,7,10,13-tetraoxo-2-({[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,6,9,12-tetraazapentadecan-1-amid (non- preferred name) [German] [ACD/IUPAC Name]
(2S,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-6,11-dimethyl-4,7,10,13-tetraoxo-2-({[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,6,9,12-tetraazapentadecan-1-amide (non -preferred name) [ACD/IUPAC Name]
(2S,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphényl)-6,11-diméthyl-4,7,10,13-tétraoxo-2-({[(2R,3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}méthyl)-3,6,9,12-tétraazapentadécan-1-amide (non -preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1119.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.6±3.0 kJ/mol
Flash Point: 631.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 174.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 276 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 480.6±5.0 cm3

Click to predict properties on the Chemicalize site


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