ChemSpider 2D Image | 2-ACETYL-2-DECARBAMOYLDOXYCYCLINE | C23H25NO8

2-ACETYL-2-DECARBAMOYLDOXYCYCLINE

  • Molecular FormulaC23H25NO8
  • Average mass443.447 Da
  • Monoisotopic mass443.158020 Da
  • ChemSpider ID32701749

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5a,6,12a-tetrahydro-1,11(4H,5H)-tetracendion [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5a,6,12a-tetrahydro-1,11(4H,5H)-tetracenedione [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6R,12aS)-2-Acétyl-4-(diméthylamino)-3,5,10,12,12a-pentahydroxy-6-méthyl-4a,5a,6,12a-tétrahydro-1,11(4H,5H)-tétracènedione [French] [ACD/IUPAC Name]
1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, (4S,4aR,5S,5aR,6R,12aS)- [ACD/Index Name]
122861-53-4 [RN]
2-ACETYL-2-DECARBAMOYLDOXYCYCLINE

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

YXY6C0J4ZX [DBID]
UNII:YXY6C0J4ZX [DBID]
UNII-YXY6C0J4ZX [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

Click to predict properties on the Chemicalize site


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