ChemSpider 2D Image | (1S,3R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)-alpha-D-xylo-hexopyranoside | C30H35NO11

(1S,3R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)-α-D-xylo-hexopyranoside

  • Molecular FormulaC30H35NO11
  • Average mass585.599 Da
  • Monoisotopic mass585.221008 Da
  • ChemSpider ID8048829

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,3R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)-α-D-xylo-hexopyranoside [ACD/IUPAC Name]
(1S,3R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(4-morpholinyl)-α-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(4-morpholinyl)-α-D-xylo-hexopyranoside de (1S,3R)-3-éthyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-D-xylo-hexopyranosyl]oxy]-, (8R,10S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 730.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.4±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 75.14
ACD/KOC (pH 5.5): 420.61
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 22.71
ACD/KOC (pH 7.4): 127.12
Polar Surface Area: 186 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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