Found 1 result

Search term: CXSXQZZDDPUUEA-LXJUGQNYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,4aR,6R,7R,7aS)-6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide | C17H18N5O5PS2

(2S,4aR,6R,7R,7aS)-6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide

  • Molecular FormulaC17H18N5O5PS2
  • Average mass467.459 Da
  • Monoisotopic mass467.048706 Da
  • ChemSpider ID35033834

  • 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-8-(benzylsulfanyl)-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-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide [ACD/IUPAC Name]
(2S,4aR,6R,7R,7aS)-6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol-2-oxid [German] [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-[6-amino-8-[(phenylmethyl)thio]-9H-purin-9-yl]tetrahydro-2-mercapto-, 2-oxide, (2S,4aR,6R,7R,7aS)- [ACD/Index Name]
HR6

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

Density: 1.9±0.1 g/cm3
Boiling Point: 744.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.0±35.7 °C
Index of Refraction: 1.878
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#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: 209 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 94.2±7.0 dyne/cm
Molar Volume: 242.9±7.0 cm3

Click to predict properties on the Chemicalize site


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