ChemSpider 2D Image | [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-{(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3 ,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}[(2,5-~2~H_2_)-1H-imidazol-4-yl]methyl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-d imethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraaz | C55H80D4N17O21S3

[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-{(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3 ,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}[(2,5-2H2)-1H-imidazol-4-yl]methyl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-d imethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraaz

  • Molecular FormulaC55H80D4N17O21S3
  • Average mass1419.576 Da
  • Monoisotopic mass1418.543579 Da
  • ChemSpider ID9369299

  • Charge - Charge

    defined stereocentres - 19 of 19 defined stereocentres

    Non-standard isotope - Non-standard isotope

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-{(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3 ;,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}[(2,5-2H2)-1H-imidazol-4-yl]methyl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-d ;imethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraaz [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-{(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3 ;,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}[(2,5-2H2)-1H-imidazol-4-yl]methyl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-d ;imethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraaz [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-{(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3 ;,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}[(2,5-2H2)-1H-imidazol-4-yl]méthyl}-9-hydroxy-5-[(1R)-1-hydroxyéthyl]-8,10-d ;iméthyl-4,7,12,15-tétraoxo-3,6,11,14-tétraaz [French] [ACD/IUPAC Name]

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

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: 45
#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:

Click to predict properties on the Chemicalize site


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