Found 6 results

Search term: MF = 'C_{37}H_{45}NO_{14}'
ChemSpider 2D Image | Methyl (1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-D-lyxo-hexopyranosyl)-3-(dimethylamino)-beta-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1- tetracenecarboxylate | C37H45NO14

Methyl (1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1- tetracenecarboxylate

  • Molecular FormulaC37H45NO14
  • Average mass727.752 Da
  • Monoisotopic mass727.283997 Da
  • ChemSpider ID78443067

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,4S)-2,5,7-Trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-tridésoxy-4-O-(2,6-didésoxy-α-D-lyxo-hexopyranosyl)-3-(diméthylamino)-β-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétra cènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-lyxo-hexopyran osyl]oxy]-, methyl ester, (1R,2S,4S)- [ACD/Index Name]
Methyl (1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1- tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-tridesoxy-4-O-(2,6-didesoxy-α-D-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro- 1-tetracencarboxylat [German] [ACD/IUPAC Name]
Sulfurmycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 851.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 219 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 492.9±5.0 cm3

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