ChemSpider 2D Image | (1S,10R,12S,21S,22R,23S,24S)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-[(2-methoxyethyl)amino]-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 | C30H36N2O10

(1S,10R,12S,21S,22R,23S,24S)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-[(2-methoxyethyl)amino]-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 FormulaC30H36N2O10
  • Average mass584.614 Da
  • Monoisotopic mass584.237000 Da
  • ChemSpider ID291124

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,10R,12S,21S,22R,23S,24S)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-[(2-methoxyethyl)amino]-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]
(1S,10R,12S,21S,22R,23S,24S)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-[(2-methoxyethyl)amino]-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]
(1S,10R,12S,21S,22R,23S,24S)-23-(Diméthylamino)-4,8,12,22,24-pentahydroxy-10-[(2-méthoxyéthyl)amino]-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, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-[(2-methoxyethyl)amino]-6,13-dimethyl-, (2S,3R,4S,5S,6S,11R,13S)- [ACD/Index Name]
7(R)-Methoxyethylamino-7-deoxynogarol
NOGAROL, 7(R)-METHOXYETHYLAMINO-7-DEOXY

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

NSC308325 [DBID]
U-58125 [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: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 178 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 379.4±5.0 cm3

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