ChemSpider 2D Image | 2HRU6LA8S5 | C42H69NO10

2HRU6LA8S5

  • Molecular FormulaC42H69NO10
  • Average mass747.998 Da
  • Monoisotopic mass747.492126 Da
  • ChemSpider ID34451834

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydr ;o-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
187166-40-1 [RN]
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3 a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)- [ACD/Index Name]
2HRU6LA8S5
3-Ethoxy-5,6-dihydro-spinosyn J
SPINETORAM J
3'-Ethoxy-5,6-dihydrospinosyn J
935545-74-7 [RN]
SPINETORAM
UNII:2HRU6LA8S5
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 803.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 201.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 16.34
ACD/KOC (pH 5.5): 40.95
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 608.69
ACD/KOC (pH 7.4): 1525.07
Polar Surface Area: 111 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 650.0±5.0 cm3

Click to predict properties on the Chemicalize site


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