ChemSpider 2D Image | (1R,2R,3R)-3,10,12-Trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-3-methyl-alpha-L-lyxo-hexopyranoside | C30H35NO11

(1R,2R,3R)-3,10,12-Trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-3-methyl-α-L-lyxo-hexopyranoside

  • Molecular FormulaC30H35NO11
  • Average mass585.599 Da
  • Monoisotopic mass585.221008 Da
  • ChemSpider ID2334371

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,3R)-3,10,12-Trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-3-methyl-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,2R,3R)-3,10,12-Trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(dimethylamino)-3-methyl-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 3,4-dihydro-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-4-[[2,3,6-trideoxy-3-(dimethylamino)-3-methyl-α-L-lyxo-hexopyranosyl]oxy]-, (2R,3R,4R)- [ACD/Index Name]
2,3,6-Tridésoxy-3-(diméthylamino)-3-méthyl-α-L-lyxo-hexopyranoside de (1R,2R,3R)-3,10,12-trihydroxy-2,7-diméthoxy-3-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
(2R,3R,4R)-4-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-4,6-DIMETHYLOXAN-2-YL]OXY}-2,5,7-TRIHYDROXY-3,10-DIMETHOXY-2-METHYL-1,2,3,4,6,11-HEXAHYDROTETRACENE-1,6,11-TRIONE
(2R,3R,4R)-4-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-4,6-DIMETHYLOXAN-2-YL]OXY}-2,5,7-TRIHYDROXY-3,10-DIMETHOXY-2-METHYL-3,4-DIHYDROTETRACENE-1,6,11-TRIONE
1,6,11(2H)-Naphthacenetrione, 3,4-dihydro-3,10-dimethoxy-2-methyl-4-((2,3,6-trideoxy-3-(dimethylamino-3-C-methyl-α-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, (2R,3R,4R)-rel-
199173-81-4 [RN]
Nocardicyclin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.7±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 172 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

Click to predict properties on the Chemicalize site


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