ChemSpider 2D Image | (1R,3R)-3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)hexopyranoside | C31H37NO12

(1R,3R)-3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)hexopyranoside

  • Molecular FormulaC31H37NO12
  • Average mass615.625 Da
  • Monoisotopic mass615.231567 Da
  • ChemSpider ID30815771

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(1R,3R)-3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)hexopyranoside [ACD/IUPAC Name]
(1R,3R)-3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(4-morpholinyl)hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(4-morpholinyl)hexopyranoside de (1R,3R)-3-(1,2-dihydroxyéthyl)-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)hexopyranosyl]oxy]-, (8R,10R)- [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: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.5±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 3.69
ACD/KOC (pH 5.5): 50.28
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 9.94
ACD/KOC (pH 7.4): 135.38
Polar Surface Area: 196 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 391.8±5.0 cm3

Click to predict properties on the Chemicalize site


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