ChemSpider 2D Image | 8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate) | C14H18BrN5O12P2S

8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC14H18BrN5O12P2S
  • Average mass622.235 Da
  • Monoisotopic mass620.933105 Da
  • ChemSpider ID115673

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-[(4-Brom-2,3-dioxobutyl)sulfanyl]adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 8-[(4-bromo-2,3-dioxobutyl)thio]-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
115678-78-9 [RN]
8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate
8-Bdb-tadp
Adenosine 5'-(trihydrogen diphosphate), 8-((4-bromo-2,3-dioxobutyl)thio)-

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

Density: 2.4±0.1 g/cm3
Boiling Point: 929.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.1±37.1 °C
Index of Refraction: 1.857
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.71
ACD/LogD (pH 5.5): -8.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 136.3±7.0 dyne/cm
Molar Volume: 256.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement