ChemSpider 2D Image | Bleocin | C55H84N17O21S3

Bleocin

  • Molecular FormulaC55H84N17O21S3
  • Average mass1415.551 Da
  • Monoisotopic mass1414.518433 Da
  • ChemSpider ID401687
  • Charge - Charge

    defined stereocentres - 18 of 19 defined stereocentres


More details:






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

(3-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}-13-[{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-d ihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-5-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15- tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-2, [ACD/IUPAC Name]
(3-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}-13-[{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-d ihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-5-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15- tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-2, [German] [ACD/IUPAC Name]
(3-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-Amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-méthyl-4-pyrimidinyl}-13-[{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-d ihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-5-yl)méthyl]-9-hydroxy-5-[(1R)-1-hydroxyéthyl]-8,10-diméthyl-4,7,12,15- tétraoxo-3,6,11,14-tétraazapentadéc-1-yl}-2, [French] [ACD/IUPAC Name]
11056-06-7 [RN]
Blenoxane
Bleocin
Bleo
Pingyangmyvin A2

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

AIDS007313 [DBID]
AIDS-007313 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 38
#H bond donors: 25
#Freely Rotating Bonds: 36
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 684 Å2
Polarizability:
Surface Tension:
Molar Volume:

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