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)-{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetr
ahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapen
tadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbony | C55H84N17O21S3

(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)-{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapen tadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbony

  • Molecular FormulaC55H84N17O21S3
  • Average mass1415.551 Da
  • Monoisotopic mass1414.518433 Da
  • ChemSpider ID4514492
  • Charge - Charge

    defined stereocentres - 9 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-[(R)-{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapen tadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbony [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)-{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapen tadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbony [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)-{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxyméthyl)tétr ahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)méthyl]-9-hydroxy-5-[(1R)-1-hydroxyéthyl]-8,10-diméthyl-4,7,12,15-tétraoxo-3,6,11,14-tétraazapen tadéc-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbony [French] [ACD/IUPAC Name]
(3-{[2-(2-{2-[(2S,3R)-2-[(2S,3S,4R)-4-[(2S,3R)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxy
1400-95-9 [RN]
37208-04-1 [RN]
37293-16-6 [RN]
37353-43-8 [RN]
40S1VHN69B
9041-93-4 [RN]
More...

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

C06854 [DBID]
CCRIS 2754 [DBID]
HSDB 3208 [DBID]
NSC 125066 [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:

Click to predict properties on the Chemicalize site






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