ChemSpider 2D Image | 13-{[(5R,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9,14-diethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl (5S)-5 -ethyl-2,3,4-tri-O-methylpentopyranoside | C43H69NO10

13-{[(5R,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9,14-diethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl (5S)-5 -ethyl-2,3,4-tri-O-methylpentopyranoside

  • Molecular FormulaC43H69NO10
  • Average mass760.009 Da
  • Monoisotopic mass759.492126 Da
  • ChemSpider ID8488165

  • defined stereocentres - 3 of 17 defined stereocentres

More details:

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

13-{[(5R,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9,14-diethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl (5S)-5 -ethyl-2,3,4-tri-O-methylpentopyranoside [ACD/IUPAC Name]
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6,7-dideoxy-2,3,4-tri-O-methyl-L-glycero-heptopyranosyl)oxy]-13-[[(5R,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9,14-diethyl-2,3, 3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 817.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 206.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 28.64
ACD/KOC (pH 5.5): 61.19
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1066.86
ACD/KOC (pH 7.4): 2279.06
Polar Surface Area: 111 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 659.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement