ChemSpider 2D Image | (2R,4aR,6R,7R,7aS)-6-(6-Amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide | C10H11BrN5O5PS

(2R,4aR,6R,7R,7aS)-6-(6-Amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide

  • Molecular FormulaC10H11BrN5O5PS
  • Average mass424.168 Da
  • Monoisotopic mass422.940000 Da
  • ChemSpider ID25057903

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4aR,6R,7R,7aS) 2-Sulfure de 6-(6-amino-8-bromo-9H-purin-9-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(2R,4aR,6R,7R,7aS)-6-(6-Amino-8-brom-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-sulfid [German] [ACD/IUPAC Name]
(2R,4aR,6R,7R,7aS)-6-(6-Amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-sulfide, (2R,4aR,6R,7R,7aS)- [ACD/Index Name]
129735-00-8 [RN]
RP2

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

Density: 2.7±0.0 g/cm3
Boiling Point: 732.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.2±0.0 kJ/mol
Flash Point: 396.7±0.0 °C
Index of Refraction: 2.050
Molar Refractivity: 81.1±0.0 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 32.1±0.0 10-24cm3
Surface Tension: 135.1±0.0 dyne/cm
Molar Volume: 157.0±0.0 cm3

Click to predict properties on the Chemicalize site


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