ChemSpider 2D Image | 6-Amino-9-{3-hydroxy-4-(phosphonooxy)-5-[(20E)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahexacos-20- en-1-yl]tetrahydro-2-furanyl}-1H-purin-9-ium | C33H55N7O18P3S2

6-Amino-9-{3-hydroxy-4-(phosphonooxy)-5-[(20E)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3λ5,5λ5-diphosphahexacos-20- en-1-yl]tetrahydro-2-furanyl}-1H-purin-9-ium

  • Molecular FormulaC33H55N7O18P3S2
  • Average mass994.877 Da
  • Monoisotopic mass994.225220 Da
  • ChemSpider ID22252494

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

6-Amino-9-{3-hydroxy-4-(phosphonooxy)-5-[(20E)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3λ5,5λ5-diphosphahexacos-20- en-1-yl]tetrahydro-2-furanyl}-1H-purin-9-ium [ACD/IUPAC Name]
6-Amino-9-{3-hydroxy-4-(phosphonooxy)-5-[(20E)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3λ5,5λ5-diphosphahexacos-20- en-1-yl]tetrahydro-2-furanyl}-1H-purin-9-ium [German] [ACD/IUPAC Name]
6-Amino-9-{3-hydroxy-4-(phosphonooxy)-5-[(20E)-3,5,10-trihydroxy-8,8-diméthyl-9,14,19,26-tétraoxo-3,5-dioxydo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3λ5,5λ5-diphosphahexacos-20- én-1-yl]tétrahydro-2-furanyl}-1H-purin-9-ium [French] [ACD/IUPAC Name]
7H-Purinium, 6-amino-9-[5-O-[hydroxy[[hydroxy[[(14E)-4-hydroxy-2,2-dimethyl-3,8,13,20-tetraoxo-17-pentyl-12,18-dithia-5,9-diazaeicos-14-en-1-yl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopentofuranos yl]- [ACD/Index Name]

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: 25
#H bond donors: 11
#Freely Rotating Bonds: 33
#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: 463 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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