ChemSpider 2D Image | (1S,10S,12S,21R,22S,23S,24R)-23-(Dimethylamino)-10-ethoxy-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-d ione | C29H33NO10

(1S,10S,12S,21R,22S,23S,24R)-23-(Dimethylamino)-10-ethoxy-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-d ione

  • Molecular FormulaC29H33NO10
  • Average mass555.573 Da
  • Monoisotopic mass555.210449 Da
  • ChemSpider ID135165

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,10S,12S,21R,22S,23S,24R)-23-(Dimethylamino)-10-ethoxy-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-di on [German] [ACD/IUPAC Name]
(1S,10S,12S,21R,22S,23S,24R)-23-(Dimethylamino)-10-ethoxy-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-d ione [ACD/IUPAC Name]
(1S,10S,12S,21R,22S,23S,24R)-23-(Diméthylamino)-10-éthoxy-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-d ione [French] [ACD/IUPAC Name]
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-11-ethoxy-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-, (2R,3S,4S,5R,6S,11S,13S)- [ACD/Index Name]
2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 4-(dimethylamino)-11-ethoxy-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-, (2R-(2α,3β,4α,5β,6α,11β,13α))-
71582-50-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 22.14
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 29.86
Polar Surface Area: 166 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 88.4±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement