Deprecated ChemSpider Record

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ChemSpider 2D Image | 6-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dih ydroxytetrahydro-2-furanyl]-9H-purin-7-ium | C27H34N9O15P2

6-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dih ydroxytetrahydro-2-furanyl]-9H-purin-7-ium

  • Molecular FormulaC27H34N9O15P2
  • Average mass786.557 Da
  • Monoisotopic mass786.164429 Da
  • ChemSpider ID25059042

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

6-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dih ydroxytetrahydro-2-furanyl]-9H-purin-7-ium [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dih ydroxytetrahydro-2-furanyl]-9H-purin-7-ium [German] [ACD/IUPAC Name]
6-Amino-9-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4S)-5-(7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl)-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-3,4-dih ydroxytétrahydro-2-furanyl]-9H-purin-7-ium [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: 24
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -8.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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