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ChemSpider 2D Image | (2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid | C13H23N3O5

(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid

  • Molecular FormulaC13H23N3O5
  • Average mass301.339 Da
  • Monoisotopic mass301.163757 Da
  • ChemSpider ID16743980

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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

(2R,4S,5R,6R)-4-Amino-6-(diethylcarbamoyl)-5-[(Z)-(1-hydroxyethyliden)amino]tetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,4S,5R,6R)-4-Amino-6-(diethylcarbamoyl)-5-[(Z)-(1-hydroxyethylidene)amino]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,4S,5R,6R)-4-amino-6-(diéthylcarbamoyl)-5-[(Z)-(1-hydroxyéthylidène)amino]tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
Acide (2R,4S,5R,6R)-5-acétamido-4-amino-6-(diéthylcarbamoyl)tétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
Acide (2R,4S,5R,6R)-5-acétamido-4-amino-6-(diéthylcarbamoyl)tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
More...

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

DXA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 239.5±5.0 cm3

Click to predict properties on the Chemicalize site


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