ChemSpider 2D Image | ?-Apo-oxytetracycline | C22H22N2O8

?-Apo-oxytetracycline

  • Molecular FormulaC22H22N2O8
  • Average mass442.419 Da
  • Monoisotopic mass442.137604 Da
  • ChemSpider ID32698317

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S,5R)-4-[(1R)-4,5-Dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxo-1-cyclohexen-1-carboxamid [German] [ACD/IUPAC Name]
(3S,4S,5R)-4-[(1R)-4,5-Dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxo-1-cyclohexene-1-carboxamide [ACD/IUPAC Name]
(3S,4S,5R)-4-[(1R)-4,5-Dihydroxy-9-méthyl-3-oxo-1,3-dihydronaphto[2,3-c]furan-1-yl]-3-(diméthylamino)-2,5-dihydroxy-6-oxo-1-cyclohexène-1-carboxamide [French] [ACD/IUPAC Name]
?-Apo-oxytetracycline
18751-99-0 [RN]
1-Cyclohexene-1-carboxamide, 4-[(1R)-1,3-dihydro-4,5-dihydroxy-9-methyl-3-oxonaphtho[2,3-c]furan-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxo-, (3S,4S,5R)- [ACD/Index Name]
β-Apooxytetracycline
(3S,4S,5R)-4-[(1R)-4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
??-Apooxytetracycline
1361013-49-1 [RN]
More...

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

7HSY5812F9 [DBID]
UNII:7HSY5812F9 [DBID]
UNII-7HSY5812F9 [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: 742.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.8±32.9 °C
Index of Refraction: 1.751
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


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