ChemSpider 2D Image | Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(methylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C29H33NO10

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(methylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC29H33NO10
  • Average mass555.573 Da
  • Monoisotopic mass555.210449 Da
  • ChemSpider ID132385

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-2-Éthyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-3-(méthylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(methylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(methylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-3-(methylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
1-NAPHTHACENECARBOXYLIC ACID 1,2,3,4,6,11-HEXAHYDRO-6,11-DIOXO-2-ETHY L-4-((2,3,6-TRIDEOXY-3-AMINO-A-L-LYXO-HEXOPYRANOSYL)OXY)-2,5,7-TRI HYDROXY-,METHYL ESTER,(1R-(1-A,2-SS,4-β))-
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-3-amino-α-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-α,2-β,4-β))-
65222-75-5 [RN]
67508-88-7 [RN]
METHYL (1R,2R,4S)-2-ETHYL-2,5,7-TRIHYDROXY-4-{[(2R,4S,5S,6S)-5-HYDROXY-6-METHYL-4-(METHYLAMINO)OXAN-2-YL]OXY}-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE
METHYL (1R,2R,4S)-2-ETHYL-2,5,7-TRIHYDROXY-4-{[(2R,4S,5S,6S)-5-HYDROXY-6-METHYL-4-(METHYLAMINO)OXAN-2-YL]OXY}-6,11-DIOXO-3,4-DIHYDRO-1H-TETRACENE-1-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.89
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.60
Polar Surface Area: 172 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

Click to predict properties on the Chemicalize site


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