ChemSpider 2D Image | Argadin | C29H42N10O9

Argadin

  • Molecular FormulaC29H42N10O9
  • Average mass674.705 Da
  • Monoisotopic mass674.313599 Da
  • ChemSpider ID395740
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

1H-3,6-Methanopyrrolo[2,1-c][1,4,7,10,13]pentaazacyclohexadecine-10-butanoic acid, 13-[3-[[(acetylamino)iminomethyl]amino]propyl]hexadecahydro-5-hydroxy-7-(1H-imidazol-4-ylmethyl)-1,8,11,14,19-pentaox o-, (3S,5R,7S,10S,13S,18aR)- [ACD/Index Name]
1-tert-Butylamino-2,3-propanediol, (S)-
4-[(1S,4R,10S,13S,16S,18R)-10-[3-(N'-Acetylcarbamimidamido)propyl]-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.04,8]icos-13-yl]butanoic acid [ACD/IUPAC Name]
4-[(1S,4R,10S,13S,16S,18R)-10-[3-(N'-Acetylcarbamimidamido)propyl]-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.04,8]icos-13-yl]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(1S,4R,10S,13S,16S,18R)-10-[3-(N'-acétylcarbamimidamido)propyl]-18-hydroxy-16-(1H-imidazol-4-ylméthyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.04,8]icos-13-yl]butanoïque [French] [ACD/IUPAC Name]
Argadin [Wiki]
]butanoic acid
289665-92-5 [RN]
4-[(1S,4R,10S,13S,16S,18R)-10-(3-{[AMINO(ACETAMIDO)METHYLIDENE]AMINO}PROPYL)-18-HYDROXY-16-(3H-IMIDAZOL-4-YLMETHYL)-3,9,12,15,20-PENTAOXO-2,8,11,14,17-PENTAAZATRICYCLO[15.2.1.0?,?]ICOSAN-13-YL]BUTANOIC ACID
4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(E)-[amino(acetamido)methylidene]amino]propyl}-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0⁴,⁸]icosan-13-yl
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 8681 [DBID]
FO 7314 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -7.44
ACD/LogD (pH 5.5): -9.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 76.4±7.0 dyne/cm
Molar Volume: 410.0±7.0 cm3

Click to predict properties on the Chemicalize site





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