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Search term: BHVAAIOABLNGKO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-C-methyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | C12H20N5O13P3

7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-C-methyl-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

  • Molecular FormulaC12H20N5O13P3
  • Average mass535.234 Da
  • Monoisotopic mass535.027039 Da
  • ChemSpider ID8477671
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-C-methyl-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-2,4-diamin [German] [ACD/IUPAC Name]
7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-C-methyl-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [ACD/IUPAC Name]
7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-C-méthyl-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-2,4-diamine, 7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-2-C-methyl-β-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 990.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.3±3.0 kJ/mol
Flash Point: 552.8±37.1 °C
Index of Refraction: 1.844
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.75
ACD/LogD (pH 5.5): -9.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 165.7±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

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