Deprecated ChemSpider Record

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ChemSpider 2D Image | (4aR,6R,7S,7aR)-6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | C10H12N5O6P

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

  • Molecular FormulaC10H12N5O6P
  • Average mass329.206 Da
  • Monoisotopic mass329.052521 Da
  • ChemSpider ID29401324
  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Date of deprecation: 15:21, Feb 6, 2014
Reason for deprecation: Deprecate record: erroneous use of wedges means stereochem is incorrectly captured/missing

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(4aR,6R,7S,7aR) 2-Oxyde de 6-(6-amino-9H-purin-9-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(4aR,6R,7S,7aR)-6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-oxid [German] [ACD/IUPAC Name]
(4aR,6R,7S,7aR)-6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7S,7aR)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 701.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 2.012
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
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: 165 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 153.8±7.0 dyne/cm
Molar Volume: 133.1±7.0 cm3

Click to predict properties on the Chemicalize site

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