Found 8 results

Search term: MF = 'C_{34}H_{43}NO_{13}'
ChemSpider 2D Image | 2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2,2-dimethoxyethyl valerate | C34H43NO13

2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2,2-dimethoxyethyl valerate

  • Molecular FormulaC34H43NO13
  • Average mass673.704 Da
  • Monoisotopic mass673.273438 Da
  • ChemSpider ID73981707

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2,2-dimethoxyethyl valerate [ACD/IUPAC Name]
2-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2,2-dimethoxyethylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-[(2S,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2,2-dimethoxyethyl ester [ACD/Index Name]
Valérate de 2-{(2S,4S)-4-[(3-amino-2,3,6-tridésoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2,2-diméthoxyéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.12
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 10.34
ACD/KOC (pH 7.4): 64.63
Polar Surface Area: 214 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 469.8±5.0 cm3

Click to predict properties on the Chemicalize site


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