ChemSpider 2D Image | (2s)-1-[(2s)-6-Amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl]acetyl}amino)hexanoyl]-N-[(1s)-1-Carbamoyl-3-Methylbutyl]pyrrolidine-2-Carboxamide | C25H45N5O8

(2s)-1-[(2s)-6-Amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl]acetyl}amino)hexanoyl]-N-[(1s)-1-Carbamoyl-3-Methylbutyl]pyrrolidine-2-Carboxamide

  • Molecular FormulaC25H45N5O8
  • Average mass543.654 Da
  • Monoisotopic mass543.326843 Da
  • ChemSpider ID17284222

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2s)-1-[(2s)-6-Amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl]acetyl}amino)hexanoyl]-N-[(1s)-1-Carbamoyl-3-Methylbutyl]pyrrolidine-2-Carboxamide
(2S)-N-[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-2-pyrrolidincarboxamid (non-preferred nam e) [German] [ACD/IUPAC Name]
(2S)-N-[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-2-pyrrolidinecarboxamide (non-preferred n ame) [ACD/IUPAC Name]
(2S)-N-[(2S)-1-Amino-4-méthyl-1-oxo-2-pentanyl]-1-[(2S)-6-amino-2-({2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]acétyl}amino)hexanoyl]-2-pyrrolidinecarboxamide (non-preferred name) [French] [ACD/IUPAC 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: 899.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.4±6.0 kJ/mol
Flash Point: 497.7±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 428.7±3.0 cm3

Click to predict properties on the Chemicalize site


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