ChemSpider 2D Image | 3'-(2-(methylamino)benzoate)inosine 5'-(tetrahydrogen triphosphate) | C18H22N5O15P3

3'-(2-(methylamino)benzoate)inosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC18H22N5O15P3
  • Average mass641.313 Da
  • Monoisotopic mass641.032532 Da
  • ChemSpider ID25058437
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3'-(2-(methylamino)benzoate)inosine 5'-(tetrahydrogen triphosphate)
3'-O-[2-(Methylamino)benzoyl]inosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-[2-(Methylamino)benzoyl]inosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-[2-(Méthylamino)benzoyl]inosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
91828-81-8 [RN]
Inosine, 3'-[2-(methylamino)benzoate] 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 3'-(2-(METHYLAMINO)BENZOATE)
MANT-ITP
MI3
UNII-0237V2ONZJ

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

UM454S5O2G [DBID]
UNII:UM454S5O2G [DBID]
UNII-UM454S5O2G [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.782
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -9.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 316 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 121.3±7.0 dyne/cm
Molar Volume: 302.9±7.0 cm3

Click to predict properties on the Chemicalize site






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