ChemSpider 2D Image | (4aR,6R,7R,7aS)-6-(6-Amino-2-chloro-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide | C10H11ClN5O5PS

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

  • Molecular FormulaC10H11ClN5O5PS
  • Average mass379.717 Da
  • Monoisotopic mass378.990692 Da
  • ChemSpider ID59053547

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,4aR,6R,7R,7aS) 2-Oxyde de 6-(6-amino-2-chloro-9H-purin-9-yl)-2-sulfanyltétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol [French] [ACD/IUPAC Name]
(2S,4aR,6R,7R,7aS)-6-(6-Amino-2-chlor-9H-purin-9-yl)-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol-2-oxid [German] [ACD/IUPAC Name]
(2S,4aR,6R,7R,7aS)-6-(6-Amino-2-chloro-9H-purin-9-yl)-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide [ACD/IUPAC Name]
(4aR,6R,7R,7aS) 2-Sulfure de 6-(6-amino-2-chloro-9H-purin-9-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-(6-Amino-2-chlor-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-sulfid [German] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-6-(6-Amino-2-chloro-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-2-chloro-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-sulfide, (4aR,6R,7R,7aS)- [ACD/Index Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-2-chloro-9H-purin-9-yl)tetrahydro-2-mercapto-, 2-oxide, (2S,4aR,6R,7R,7aS)- [ACD/Index Name]
(2s,4ar,6r,7r,7as)-6-(6-Amino-2-Chloro-9h-Purin-9-Yl)-7-Hydroxy-2-Sulfanyltetrahydro-2h,4h-2λ5-Furo[3,2-D][1,3,2]dioxaphosphinin-2-One
75G

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

Density: 2.5±0.1 g/cm3
Boiling Point: 622.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.0±34.3 °C
Index of Refraction: 2.024
Molar Refractivity: 78.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 180 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 131.4±7.0 dyne/cm
Molar Volume: 153.8±7.0 cm3

Click to predict properties on the Chemicalize site


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