ChemSpider 2D Image | (1R,3R)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(2R)-2-methoxy-4-morpholinyl]-alpha-D-lyxo-hexopyranoside | C32H37NO13

(1R,3R)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(2R)-2-methoxy-4-morpholinyl]-α-D-lyxo-hexopyranoside

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID68897352

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3R)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(2R)-2-methoxy-4-morpholinyl]-α-D-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,3R)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(2R)-2-methoxy-4-morpholinyl]-α-D-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-[(2R)-2-méthoxy-4-morpholinyl]-α-D-lyxo-hexopyranoside de (1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2R)-2-methoxy-4-morpholinyl]-α-D-lyxo-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: 852.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 21.12
ACD/KOC (pH 5.5): 276.25
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 9.81
ACD/KOC (pH 7.4): 128.31
Polar Surface Area: 202 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 413.3±5.0 cm3

Click to predict properties on the Chemicalize site


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