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ChemSpider 2D Image | (2R,3R)-1-Amino-4-(dimethylamino)-1,4-dioxo-2,3-butanediyl dibenzoate | C20H20N2O6

(2R,3R)-1-Amino-4-(dimethylamino)-1,4-dioxo-2,3-butanediyl dibenzoate

  • Molecular FormulaC20H20N2O6
  • Average mass384.383 Da
  • Monoisotopic mass384.132141 Da
  • ChemSpider ID21188438

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 16:16, May 21, 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,3R)-1-Amino-4-(dimethylamino)-1,4-dioxo-2,3-butandiyl-dibenzoat [German] [ACD/IUPAC Name]
(2R,3R)-1-Amino-4-(dimethylamino)-1,4-dioxo-2,3-butanediyl dibenzoate [ACD/IUPAC Name]
Butanediamide, 2,3-bis(benzoyloxy)-N1,N1-dimethyl-, (2R,3R)- [ACD/Index Name]
Dibenzoate de (2R,3R)-1-amino-4-(diméthylamino)-1,4-dioxo-2,3-butanediyle [French] [ACD/IUPAC Name]
(2R,3R)-1-Amino-4-(dimethylamino)-1,4-dioxobutane-2,3-diyl dibenzoate
185816-34-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.6±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 117 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 305.3±7.0 cm3

Click to predict properties on the Chemicalize site


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