ChemSpider 2D Image | (2xi)-3-({[(4-{[3-(Aminomethyl)benzyl]carbamoyl}-1-piperazinyl)carbonyl]oxy}methyl)-2-O-benzyl-3,4-dideoxy-1-O-[(4-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-1-piperidinyl)carbonyl]-alpha-L-glycero-pento pyranose | C40H54N8O8

(2ξ)-3-({[(4-{[3-(Aminomethyl)benzyl]carbamoyl}-1-piperazinyl)carbonyl]oxy}methyl)-2-O-benzyl-3,4-dideoxy-1-O-[(4-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-1-piperidinyl)carbonyl]-α-L-glycero-pento pyranose

  • Molecular FormulaC40H54N8O8
  • Average mass774.906 Da
  • Monoisotopic mass774.406433 Da
  • ChemSpider ID8051209

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2ξ)-3-({[(4-{[3-(Aminomethyl)benzyl]carbamoyl}-1-piperazinyl)carbonyl]oxy}methyl)-2-O-benzyl-3,4-dideoxy-1-O-[(4-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-1-piperidinyl)carbonyl]-α-L-glycero-pento pyranose [ACD/IUPAC Name]
(2ξ)-3-({[(4-{[3-(Aminomethyl)benzyl]carbamoyl}-1-piperazinyl)carbonyl]oxy}methyl)-2-O-benzyl-3,4-didesoxy-1-O-[(4-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-1-piperidinyl)carbonyl]-α-L-glycero-pent opyranose [German] [ACD/IUPAC Name]
(2ξ)-3-({[(4-{[3-(Aminométhyl)benzyl]carbamoyl}-1-pipérazinyl)carbonyl]oxy}méthyl)-2-O-benzyl-3,4-didésoxy-1-O-[(4-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-1-pipéridinyl)carbonyl]-α-L-glycéro-pent opyranose [French] [ACD/IUPAC Name]
α-L-glycero-Pentopyranose, 3-[[[[4-[[[[3-(aminomethyl)phenyl]methyl]amino]carbonyl]-1-piperazinyl]carbonyl]oxy]methyl]-3,4-dideoxy-1-O-[[4-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]-1-piperidin yl]carbonyl]-2-O-(phenylmethyl)-, (2ξ)- [ACD/Index 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: 1016.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.7±3.0 kJ/mol
Flash Point: 568.6±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 207.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.59
Polar Surface Area: 183 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 572.5±7.0 cm3

Click to predict properties on the Chemicalize site


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