ChemSpider 2D Image | MFCD21363883 | C20H31NO7

MFCD21363883

  • Molecular FormulaC20H31NO7
  • Average mass397.463 Da
  • Monoisotopic mass397.210052 Da
  • ChemSpider ID52084065

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R)-N-acetyl-9-aminominocycline
1300037-86-8 [RN]
3-[(2R,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-[(2R,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 3-[(2R,3R)-1-(diméthylamino)-2-méthyl-3-pentanyl]phényle [French] [ACD/IUPAC Name]
MFCD21363883
β-D-Glucopyranosiduronic acid, 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]phenyl [ACD/Index Name]
3-[(2R,3R)-1-(Dimethylamino)-2-methylpentan-3-yl]phenyl β-D-glucopyranosiduronic acid
N-ACETYL-9-AMINOMINOCYCLINE, (4R)-
Tapentadol-β-D-glucuronidemissing

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

40KZS36JSZ [DBID]
UNII:40KZS36JSZ [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: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement