ChemSpider 2D Image | 9,14-Dimethyl-7,15-dioxo-13-[(vinyloxy)methoxy]-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-alpha-L-mannopyranoside | C32H48O10

9,14-Dimethyl-7,15-dioxo-13-[(vinyloxy)methoxy]-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID8048965

  • defined stereocentres - 5 of 14 defined stereocentres

More details:

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

1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-13-[(ethenyloxy)methoxy]-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-9,14-dimethyl- [ACD/Index Name]
9,14-Dimethyl-7,15-dioxo-13-[(vinyloxy)methoxy]-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.1±6.0 kJ/mol
Flash Point: 241.3±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.71
ACD/KOC (pH 5.5): 1548.03
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.71
ACD/KOC (pH 7.4): 1548.03
Polar Surface Area: 141 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 469.7±5.0 cm3

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