ChemSpider 2D Image | 2-[(2E)-2-Buten-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chrome ne-4,7,12-trione | C39H48N2O9

2-[(2E)-2-Buten-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chrome ne-4,7,12-trione

  • Molecular FormulaC39H48N2O9
  • Average mass688.806 Da
  • Monoisotopic mass688.335999 Da
  • ChemSpider ID4514106

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2E)-2-Buten-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chrome n-4,7,12-trion [German] [ACD/IUPAC Name]
2-[(2E)-2-Buten-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chrome ne-4,7,12-trione [ACD/IUPAC Name]
2-[(2E)-2-Butén-2-yl]-10-[4-(diméthylamino)-5-hydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]-8-[4-(diméthylamino)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-11-hydroxy-5-méthyl-4H-naphto[2,3-h]chromèn e-4,7,12-trione [French] [ACD/IUPAC Name]
11072-82-5 [RN]
4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propenyl]- 8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino- hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)- 3-C-methyl-α-L-lyxo-hexopyranosyl]-
Kidamycin
Rubiflavin B

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

NSC143094 [DBID]
NSC295565 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 854.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 470.3±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 185.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 29.22
Polar Surface Area: 146 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 512.0±5.0 cm3

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