ChemSpider 2D Image | 10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dime
thyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium | C27H35N9O15P2

10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dime thyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium

  • Molecular FormulaC27H35N9O15P2
  • Average mass787.565 Da
  • Monoisotopic mass787.171692 Da
  • ChemSpider ID394391
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dime thyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium [ACD/IUPAC Name]
10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dime thyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium [German] [ACD/IUPAC Name]
10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimé thyl-2,4-dioxo-1,2,3,4-tétrahydrobenzo[g]ptéridin-10-ium [French] [ACD/IUPAC Name]
FAE

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 18
#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: 379 Å2
Polarizability:
Surface Tension:
Molar Volume:

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