ChemSpider 2D Image | (2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Methylenebis(imino-9H-purine-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydro-3,4-furandiol] | C21H26N10O8

(2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Methylenebis(imino-9H-purine-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydro-3,4-furandiol]

  • Molecular FormulaC21H26N10O8
  • Average mass546.493 Da
  • Monoisotopic mass546.193481 Da
  • ChemSpider ID141178

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Methylenbis(imino-9H-purin-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydro-3,4-furandiol] [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Methylenebis(imino-9H-purine-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydro-3,4-furandiol] [ACD/IUPAC Name]
(2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Méthylènebis(imino-9H-purine-6,9-diyl)]bis[5-(hydroxyméthyl)tétrahydro-3,4-furanediol] [French] [ACD/IUPAC Name]
(2r,3r,4s,5r,2'r,3'r,4's,5'r)-2,2'-[methanediylbis(imino-9h-purine-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydrofuran-3,4-diol](non-preferred name)
3128-30-1 [RN]
Adenosine, N,N''-methylenebis-
Me-Bis(ADP)

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1093.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.2±3.0 kJ/mol
Flash Point: 615.1±37.1 °C
Index of Refraction: 1.964
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.23
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.24
Polar Surface Area: 251 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 115.3±7.0 dyne/cm
Molar Volume: 254.8±7.0 cm3

Click to predict properties on the Chemicalize site


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