ChemSpider 2D Image | (1alpha,5beta,8xi,9beta,10alpha,17xi)-1,7,25-Trihydroxy-24-(alpha-L-glycero-pentopyranosyloxy)-9,19-cyclolanostan-3-yl (4xi)-6-deoxy-L-lyxo-hexopyranoside | C41H70O13

(1α,5β,8ξ,9β,10α,17ξ)-1,7,25-Trihydroxy-24-(α-L-glycero-pentopyranosyloxy)-9,19-cyclolanostan-3-yl (4ξ)-6-deoxy-L-lyxo-hexopyranoside

  • Molecular FormulaC41H70O13
  • Average mass770.987 Da
  • Monoisotopic mass770.481628 Da
  • ChemSpider ID28286129

  • defined stereocentres - 11 of 21 defined stereocentres

More details:

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(1α,5β,8ξ,9β,10α,17ξ)-1,7,25-Trihydroxy-24-(α-L-glycero-pentopyranosyloxy)-9,19-cyclolanostan-3-yl (4ξ)-6-deoxy-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1α,5β,8ξ,9β,10α,17ξ)-1,7,25-Trihydroxy-24-(α-L-glycero-pentopyranosyloxy)-9,19-cyclolanostan-3-yl-(4ξ)-6-desoxy-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(4ξ)-6-Désoxy-L-lyxo-hexopyranoside de (1α,5β,8ξ,9β,10α,17ξ)-1,7,25-trihydroxy-24-(α-L-glycéro-pentopyranosyloxy)-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
L-lyxo-Hexopyranoside, (1α,5β,8ξ,9β,10α,17ξ)-1,7,25-trihydroxy-24-(α-L-glycero-pentopyranosyloxy)-9,19-cyclolanostan-3-yl 6-deoxy-, (4ξ)- [ACD/Index Name]
cyclomacroside D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 486.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 198.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.05
ACD/KOC (pH 5.5): 675.38
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.05
ACD/KOC (pH 7.4): 675.38
Polar Surface Area: 219 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 575.7±5.0 cm3

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