ChemSpider 2D Image | 5a,11a-Dehydrochlortetracycline | C22H21ClN2O8

5a,11a-Dehydrochlortetracycline

  • Molecular FormulaC22H21ClN2O8
  • Average mass476.864 Da
  • Monoisotopic mass476.098633 Da
  • ChemSpider ID30791385

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,4aS,6S,12aS)-7-Chlor-4-(dimethylamino)-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-naphthacenecarboxamide
(4S,4aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,6S,12aS)-7-Chloro-4-(diméthylamino)-3,6,10,12a-tétrahydroxy-6-méthyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,6,11,12,12a-octahydro-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-, (4S,4aS,6S,12aS)- [ACD/Index Name]
5a,11a-Dehydrochlortetracycline
4199-31-9 [RN]
5a,11a-Dehydro-7-chlorotetracycline
Dehydrochlortetracycline
MFCD18428997

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

Density: 1.7±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 99.1±5.0 dyne/cm
Molar Volume: 280.0±5.0 cm3

Click to predict properties on the Chemicalize site


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