ChemSpider 2D Image | 3'-O-{4-[(4-Azido-2-nitrophenyl)amino]butanoyl}adenosine 5'-(trihydrogen diphosphate) | C20H25N10O13P2

3'-O-{4-[(4-Azido-2-nitrophenyl)amino]butanoyl}adenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC20H25N10O13P2
  • Average mass674.411 Da
  • Monoisotopic mass674.099976 Da
  • ChemSpider ID2299973
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-{4-[(4-Azido-2-nitrophenyl)amino]butanoyl}adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-O-{4-[(4-Azido-2-nitrophenyl)amino]butanoyl}adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-O-{4-[(4-Azido-2-nitrophényl)amino]butanoyl}adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-[4-[(4-azido-2-nitrophenyl)amino]butanoate] 5'-(trihydrogen diphosphate) [ACD/Index Name]
3'-O-(4(N-(4-Azido-2-nitrophenyl)amino)butyryl)adenosine 5'-diphosphate
64655-48-7 [RN]
Adenosine 5'-(trihydrogen diphosphate) 3'-(4-((4-azido-2-nitrophenyl)amino)butanoate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Surface Tension:
Molar Volume:

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