ChemSpider 2D Image | 10-(Cyclohexylamino)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione | C33H40N2O9

10-(Cyclohexylamino)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID291127

More details:

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

10-(Cyclohexylamino)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-6,17-dion [German] [ACD/IUPAC Name]
10-(Cyclohexylamino)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione [ACD/IUPAC Name]
10-(Cyclohexylamino)-23-(diméthylamino)-4,8,12,22,24-pentahydroxy-1,12-diméthyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaène-6,17-dione [French] [ACD/IUPAC Name]
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-(cyclohexylamino)-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl- [ACD/Index Name]
NOGAROL, 7(R)-CYCLOHEXYLAMINO-7-DEOXY

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

NSC308328 [DBID]
U-58128 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 850.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.5±3.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 14.00
Polar Surface Area: 169 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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