ChemSpider 2D Image | N-[N-(9-b-D-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate | C16H23N6O11P

N-[N-(9-b-D-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate

  • Molecular FormulaC16H23N6O11P
  • Average mass506.361 Da
  • Monoisotopic mass506.116241 Da
  • ChemSpider ID25060254
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutanoic acid [ACD/IUPAC Name]
(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)méthyl]tétrahydro-2-furanyl}-9H-purin-6-yl)(méthyl)carbamoyl]amino}-3-hydroxybutanoïque [French] [ACD/IUPAC Name]
Adenosine, N-[[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]carbonyl]-N-methyl-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-[N-(9-b-D-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -7.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 102.5±7.0 dyne/cm
Molar Volume: 251.9±7.0 cm3

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