ChemSpider 2D Image | (1aS)-2-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-1a,2-dihydrooxazireno[3,2-f]purin-6-amine | C10H15N5O11P2

(1aS)-2-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1a,2-dihydrooxazireno[3,2-f]purin-6-amine

  • Molecular FormulaC10H15N5O11P2
  • Average mass443.201 Da
  • Monoisotopic mass443.024323 Da
  • ChemSpider ID79716018

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1aS)-2-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1a,2-dihydrooxazireno[3,2-f]purin-6-amin [German] [ACD/IUPAC Name]
(1aS)-2-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1a,2-dihydrooxazireno[3,2-f]purin-6-amine [ACD/IUPAC Name]
(1aS)-2-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1a,2-dihydrooxaziréno[3,2-f]purin-6-amine [French] [ACD/IUPAC Name]
Oxazirino[3,2-f]purin-6-amine, 1a,2-dihydro-2-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, (1aS)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 835.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.8±37.1 °C
Index of Refraction: 1.775
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -8.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 173.1±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

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