Found 9 results

Search term: GPXWBKWDXPBLKS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[[(2S)-2,6-dimethyl-1-oxoheptyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-be ta-D-lyxofuranosyl]-, ion(4-) | C30H48N7O17P3S

9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[[(2S)-2,6-dimethyl-1-oxoheptyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-be ta-D-lyxofuranosyl]-, ion(4-)

  • Molecular FormulaC30H48N7O17P3S
  • Average mass903.727 Da
  • Monoisotopic mass903.206238 Da
  • ChemSpider ID35031868

  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[[(2S)-2,6-dimethyl-1-oxoheptyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-be ta-D-lyxofuranosyl]-, ion(4-) [ACD/Index Name]
2,6-dimethylheptanoyl-coa
3-({2-[(2-{[(2S)-2,6-dimethylheptanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropyl {[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxyphosphonate

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: 24
#H bond donors: 10
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -7.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 430 Å2
Polarizability:
Surface Tension:
Molar Volume:

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