ChemSpider 2D Image | 2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(alpha-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[ 3-nitro-5-(beta-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamate | C63H91N15O26

2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[ 3-nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamate

  • Molecular FormulaC63H91N15O26
  • Average mass1474.481 Da
  • Monoisotopic mass1473.625977 Da
  • ChemSpider ID26353981

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2-{[2-({3-[4-(3-{[3-Nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-pipérazinyl]propyl}amino)-3,4-dioxo-1-cyclobutén-1-yl]amino}éthyl)carbamate de 2-amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-g alactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-pipérazinyl]propyl}amino)-3,4-dioxo-1-cyclobutén-1-yl]amino}éthyl)carbamoyl]oxy}propyle [French] [ACD/IUPAC Name]
2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[ 3-nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamate [ACD/IUPAC Name]
2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl-(2-{[2-({3-[4-(3-{[ 3-nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamat [German] [ACD/IUPAC Name]
2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[ 3-nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamate [ACD/IUPAC Name]
2-Amino-3-{[(2-{[2-({3-[4-(3-{[3-(α-D-galactopyranosyloxy)-5-nitrobenzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamoyl]oxy}propyl-(2-{[2-({3-[4-(3-{[ 3-nitro-5-(β-L-talopyranosyloxy)benzoyl]amino}propyl)-1-piperazinyl]propyl}amino)-3,4-dioxo-1-cyclobuten-1-yl]amino}ethyl)carbamat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 358.1±0.4 cm3
#H bond acceptors: 41
#H bond donors: 18
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 3
ACD/LogP: -6.14
ACD/LogD (pH 5.5): -9.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 581 Å2
Polarizability: 142.0±0.5 10-24cm3
Surface Tension: 96.9±5.0 dyne/cm
Molar Volume: 941.3±5.0 cm3

Click to predict properties on the Chemicalize site


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