ChemSpider 2D Image | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE | C18H22N6O10P2

2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE

  • Molecular FormulaC18H22N6O10P2
  • Average mass544.349 Da
  • Monoisotopic mass544.087280 Da
  • ChemSpider ID4450903

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE
2'-Deoxy-3'-O-[2-(methylamino)benzoyl]adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
2'-Desoxy-3'-O-[2-(methylamino)benzoyl]adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-3'-O-[2-(méthylamino)benzoyl]adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-, 3'-[2-(methylamino)benzoate] 5'-(trihydrogen diphosphate) [ACD/Index Name]
Mant-ADP
MNT

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

LI7 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 859.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.3±37.1 °C
Index of Refraction: 1.767
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -5.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 283.9±7.0 cm3

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