ChemSpider 2D Image | (1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside | C28H33NO10

(1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC28H33NO10
  • Average mass543.562 Da
  • Monoisotopic mass543.210449 Da
  • ChemSpider ID111483

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1R,2R,4S)-2-éthyl-2,4,7,10,12-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-1,4,6,8,10-pentahydroxy-7-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R,10S)- [ACD/Index Name]
(7R,8R,10S)-7-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,4,6,8,10-PENTAHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(7R,8R,10S)-7-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,4,6,8,10-PENTAHYDROXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl)oxy)-, (7R-(7α,8β,10β))-
94818-02-7 [RN]
Alldimycin 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: 753.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 9.79
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 17.86
Polar Surface Area: 177 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 350.6±5.0 cm3

Click to predict properties on the Chemicalize site


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