ChemSpider 2D Image | 8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine | C14H19BrN5O15P3S

8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC14H19BrN5O15P3S
  • Average mass702.215 Da
  • Monoisotopic mass700.899475 Da
  • ChemSpider ID95638399

More details:

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

8-[(4-Brom-2,3-dioxobutyl)sulfanyl]-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-[(4-bromo-2,3-dioxobutyl)thio]-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 999.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.8±3.0 kJ/mol
Flash Point: 558.5±37.1 °C
Index of Refraction: 1.861
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.98
ACD/LogD (pH 5.5): -11.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 368 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 154.4±7.0 dyne/cm
Molar Volume: 278.0±7.0 cm3

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