ChemSpider 2D Image | BD-AcAc2 | C8H16O4

BD-AcAc2

  • Molecular FormulaC8H16O4
  • Average mass176.210 Da
  • Monoisotopic mass176.104858 Da
  • ChemSpider ID28637780

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-Hydroxybutanoate de (3R)-3-hydroxybutyle [French] [ACD/IUPAC Name]
(3'R)-3'-hydroxybutyl (3R)-3-hydroxybutanoate
(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate [ACD/IUPAC Name]
(3R)-3-Hydroxybutyl-(3R)-3-hydroxybutanoat [German] [ACD/IUPAC Name]
1208313-97-6 [RN]
BD-AcAc2
Butanoic acid, 3-hydroxy-, (3R)-3-hydroxybutyl ester, (3R)- [ACD/Index Name]
(R)-(R)-3-hydroxybutyl 3-hydroxybutanoate
(R)-3-hydroxybutyl (R)-3-hydroxybutanoate
(r)-3-hydroxybutyl (r)-3-hydroxybutyrate
More...

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

X587FW0372 [DBID]
UNII:X587FW0372 [DBID]
UNII-X587FW0372 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ketone Ester, added in diet, could elevated mean blood ketone bodies of 3.5 mm and lowered plasma glucose, insulin, and leptin in animals; ketone ester given orally would delay CNS-OT seizures in rats breathing hyperbaric oxygen.; IC50 value:; Target:; a ketone ester given orally as R,S-1,3-butanediol acetoacetate diester (BD-AcAc(2)) would delay CNS-OT seizures in rats breathing hyperbaric oxygen (HBO(2)). MedChem Express HY-15344
      Ketone Ester, added in diet, could elevated mean blood ketone bodies of 3.5 mm and lowered plasma glucose, insulin, and leptin in animals; ketone ester given orally would delay CNS-OT seizures in rats breathing hyperbaric oxygen.;IC50 value:;Target:a ketone ester given orally as R,S-1,3-butanediol acetoacetate diester (BD-AcAc(2)) would delay CNS-OT seizures in rats breathing hyperbaric oxygen (HBO(2)). Adult male rats (n = 60) were implanted with radiotelemetry units to measure electroencephalogram (EEG). One week postsurgery, rats were administered a single oral dose of BD-AcAc(2), 1,3-butanediol (BD), or water 30 min before being placed into a hyperbaric chamber and pressurized to 5 atmospheres absolute (ATA) O2 [1]. Beginning at a presymptomatic age, 2 groups of male 3xTgAD mice were fed a diet containing a physiological enantiomeric precursor of ketone bodies (KET) or an isocaloric carbohydrate diet. The results of behavioral tests performed at 4 and 7 months after diet initi MedChem Express HY-15344
      Ketone Ester, added in diet, could elevated mean blood ketone bodies of 3.5 mm and lowered plasma glucose, insulin, and leptin in animals; ketone ester given orally would delay CNS-OT seizures in rats breathing hyperbaric oxygen. MedChem Express
      Others MedChem Express HY-15344

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.8±6.0 kJ/mol
Flash Point: 101.1±13.9 °C
Index of Refraction: 1.461
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.52
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.52
Polar Surface Area: 67 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 159.8±3.0 cm3

Click to predict properties on the Chemicalize site


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