ChemSpider 2D Image | (2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl)amino]propyl
}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy
dro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydr | C57H89N19O21S2

(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl)amino]propyl }carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy dro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydr

  • Molecular FormulaC57H89N19O21S2
  • Average mass1440.561 Da
  • Monoisotopic mass1439.592163 Da
  • ChemSpider ID21341172
  • defined stereocentres - 10 of 19 defined stereocentres


More details:






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

(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl)amino]propyl }carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy dro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydr [ACD/IUPAC Name]
(2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl)amino]propyl }carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy dro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydr [German] [ACD/IUPAC Name]
Carbamate de (2R,3S,4R,5R,6R)-2-{[(2S,3R,4R,5R,6R)-2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-méthyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl )amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]éthyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-méthyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxym éthyl)tétrahydro-2H-pyran-3-yl]oxy}-3,5-dihy [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 348.5±0.4 cm3
#H bond acceptors: 40
#H bond donors: 28
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -9.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 722 Å2
Polarizability: 138.2±0.5 10-24cm3
Surface Tension: 104.6±5.0 dyne/cm
Molar Volume: 921.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement