ChemSpider 2D Image | {3-[({2'-[(8S,9S,10R)-15-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)-13-[{[(2R,3S,4S,5R,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydro xymethyl)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-(1-hydroxyethyl)-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tet raazapentadec-1-yl]-2,4'-bi-1,3-thiazol-4-yl | C55H84N17O21S3

{3-[({2'-[(8S,9S,10R)-15-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)-13-[{[(2R,3S,4S,5R,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydro xymethyl)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-(1-hydroxyethyl)-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tet raazapentadec-1-yl]-2,4'-bi-1,3-thiazol-4-yl

  • Molecular FormulaC55H84N17O21S3
  • Average mass1415.551 Da
  • Monoisotopic mass1414.518433 Da
  • ChemSpider ID8662073

  • Charge - Charge

    defined stereocentres - 13 of 19 defined stereocentres

More details:

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

{3-[({2'-[(8S,9S,10R)-15-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)-13-[{[(2R,3S,4S,5R,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydro xymethyl)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-(1-hydroxyethyl)-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tet raazapentadec-1-yl]-2,4'-bi-1,3-thiazol-4-yl [ACD/IUPAC Name]
{3-[({2'-[(8S,9S,10R)-15-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)-13-[{[(2R,3S,4S,5R,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydro xymethyl)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-(1-hydroxyethyl)-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tet raazapentadec-1-yl]-2,4'-bi-1,3-thiazol-4-yl [German] [ACD/IUPAC Name]
{3-[({2'-[(8S,9S,10R)-15-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-méthyl-4-pyrimidinyl)-13-[{[(2R,3S,4S,5R,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydro xyméthyl)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-(1-hydroxyéthyl)-8,10-diméthyl-4,7,12,15-tétraoxo-3,6,11,14-tét raazapentadéc-1-yl]-2,4'-bi-1,3-thiazol-4-yl [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: 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:

Click to predict properties on the Chemicalize site


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