ChemSpider 2D Image | gamma-L-glutamylbutirosin B | C26H48N6O15

γ-L-glutamylbutirosin B

  • Molecular FormulaC26H48N6O15
  • Average mass684.690 Da
  • Monoisotopic mass684.317749 Da
  • ChemSpider ID28532822

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-6-Amino-4-{[(2S)-4-(L-γ-glutamylamino)-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-6-Amino-4-{[(2S)-4-(L-γ-glutamylamino)-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl-2,6-diamino-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-6-amino-4-{[(2S)-4-(L-γ-glutamylamino)-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-6-amino-4-[[(2S)-4-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-2-hydroxy-1-oxobutyl]amino]-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dide oxy- [ACD/Index Name]
γ-L-glutamylbutirosin B
γ-L-glutamyl-butirosin B
γ-L-glutamylbutirosin Bamma-L-Glutamyl-butirosin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1125.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.3±6.0 kJ/mol
Flash Point: 634.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 21
#H bond donors: 18
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 378 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

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