ChemSpider 2D Image | 2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl](methyl)amino}-3-({3,5-dihydroxy-5-[(3-hydroxy-1-oxo-1-{[2-(4-{[2-(1-piperazinyl)ethyl]ca rbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-2-butanyl)amino]-4-methyl-2-pentanyl}amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydrox y-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl | C57H89N19O21S2

2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl](methyl)amino}-3-({3,5-dihydroxy-5-[(3-hydroxy-1-oxo-1-{[2-(4-{[2-(1-piperazinyl)ethyl]ca rbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-2-butanyl)amino]-4-methyl-2-pentanyl}amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydrox y-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl

  • Molecular FormulaC57H89N19O21S2
  • Average mass1440.561 Da
  • Monoisotopic mass1439.592163 Da
  • ChemSpider ID10512384

More details:

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

2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl](methyl)amino}-3-({3,5-dihydroxy-5-[(3-hydroxy-1-oxo-1-{[2-(4-{[2-(1-piperazinyl)ethyl]ca rbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-2-butanyl)amino]-4-methyl-2-pentanyl}amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydrox y-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl [ACD/IUPAC Name]
2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl](methyl)amino}-3-({3,5-dihydroxy-5-[(3-hydroxy-1-oxo-1-{[2-(4-{[2-(1-piperazinyl)ethyl]ca rbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-2-butanyl)amino]-4-methyl-2-pentanyl}amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydrox y-6-(hydroxymethyl)tetrahydro-2H-pyran-4-ylc [German] [ACD/IUPAC Name]
Carbamate de 2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-méthyl-4-pyrimidinyl)carbonyl](méthyl)amino}-3-({3,5-dihydroxy-5-[(3-hydroxy-1-oxo-1-{[2-(4-{[2-(1-pipéraz inyl)éthyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)éthyl]amino}-2-butanyl)amino]-4-méthyl-2-pentanyl}amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl}oxy) -3,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2 [French] [ACD/IUPAC Name]
Pentitol, 2-[[2-[[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]carbonyl]methylamino]-3-[[2-O-[3-O-(aminocarbonyl)hexopyranosyl]hexopyranosyl]oxy]-3-(1H-im idazol-4-yl)-1-oxopropyl]amino]-1,2,4-trideoxy-5-C-[[2-hydroxy-1-[[[2-[4-[[[2-(1-piperazinyl)ethyl]amino]carbonyl][2,4'-bithiazol]-2'-yl]ethyl]amino]carbonyl]propyl]amino]-4-methyl- [ACD/Index 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: 1.696
Molar Refractivity: 348.4±0.4 cm3
#H bond acceptors: 40
#H bond donors: 26
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -8.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 693 Å2
Polarizability: 138.1±0.5 10-24cm3
Surface Tension: 108.5±5.0 dyne/cm
Molar Volume: 905.1±5.0 cm3

Click to predict properties on the Chemicalize site


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