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]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylene)amino]butyl}carbamoyl)-4',5'-dihydro-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl }oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahy | C55H86N20O21S2

2-({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-({4-[(diaminomethylene)amino]butyl}carbamoyl)-4',5'-dihydro-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl }oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahy

  • Molecular FormulaC55H86N20O21S2
  • Average mass1427.523 Da
  • Monoisotopic mass1426.571777 Da
  • ChemSpider ID140128

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]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylen)amino]butyl}carbamoyl)-4',5'-dihydro-2,4'-b i-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl} oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahyd [German] [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]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylene)amino]butyl}carbamoyl)-4',5'-dihydro-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl }oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahy [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]amino}-3-[(5-{[1-({2-[4-({4-[(diaminométhylène)amino]butyl}carbamoyl)-4',5'- dihydro-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro- 2H-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxym [French] [ACD/IUPAC Name]
11031-11-1 [RN]
Phleomycin D1

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 329.3±0.5 cm3
#H bond acceptors: 41
#H bond donors: 29
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -9.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 744 Å2
Polarizability: 130.5±0.5 10-24cm3
Surface Tension: 85.3±7.0 dyne/cm
Molar Volume: 793.5±7.0 cm3

Click to predict properties on the Chemicalize site


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