Found 8 results

Search term: MF = 'C_{34}H_{43}NO_{13}'
ChemSpider 2D Image | (1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-(2,6-dideoxy-beta-L-lyxo-hexopyranosyl)-3-(dimethylamino)-beta-L-arabino-hexopyranoside | C34H43NO13

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-(2,6-dideoxy-β-L-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-arabino-hexopyranoside

  • Molecular FormulaC34H43NO13
  • Average mass673.704 Da
  • Monoisotopic mass673.273438 Da
  • ChemSpider ID78443275

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-(2,6-dideoxy-β-L-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-arabino-hexopyranoside [ACD/IUPAC Name]
(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-4-O-(2,6-didesoxy-β-L-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-4-O-(2,6-didésoxy-β-L-lyxo-hexopyranosyl)-3-(diméthylamino)-β-L-arabino-hexopyranoside de (1S,3R,4R)-3-éthyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracén yle [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-4-O-(2,6-dideoxy-β-L-lyxo-hexopyranosyl)-3-(dimethylamino)-β-L-arabino-hexopyranosyl]oxy]-, (7R,8R, 10S)- [ACD/Index Name]
Betaclamycin S

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

Density: 1.5±0.1 g/cm3
Boiling Point: 819.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.3±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 13.52
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 5.37
ACD/KOC (pH 7.4): 31.83
Polar Surface Area: 216 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 439.5±5.0 cm3

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