ChemSpider 2D Image | (1S,4R,7S,9alpha,17alpha,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl alpha-D-mannopyranoside | C36H56O8

(1S,4R,7S,9α,17α,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl α-D-mannopyranoside

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID113609700

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,4R,7S,9α,17α,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl α-D-mannopyranoside [ACD/IUPAC Name]
(1S,4R,7S,9α,17α,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
Estr-5-ene-9-carboxaldehyde, 17-[(1R,3E)-1,5-dimethyl-3,5-hexadien-1-yl]-3-hydroxy-7-(α-D-mannopyranosyloxy)-4,4,14-trimethyl-, (3β,7β,10α,17α)- [ACD/Index Name]
α-D-Mannopyranoside de (1S,4R,7S,9α,17α,23E)-9-formyl-1-hydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23,25-trién-7-yle [French] [ACD/IUPAC 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: 734.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 222.4±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1570.22
ACD/KOC (pH 5.5): 6749.43
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1570.21
ACD/KOC (pH 7.4): 6749.38
Polar Surface Area: 137 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 506.9±5.0 cm3

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