ChemSpider 2D Image | (3beta,13xi,16beta,20alpha,21beta)-16,20,22-Trihydroxy-6-oxohopan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranoside | C41H68O13

(3β,13ξ,16β,20α,21β)-16,20,22-Trihydroxy-6-oxohopan-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID9789487

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,13ξ,16β,20α,21β)-16,20,22-Trihydroxy-6-oxohopan-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-xylopyranoside de (3β,13ξ,16β,20α,21β)-16,20,22-trihydroxy-6-oxohopan-3-yle [French] [ACD/IUPAC Name]
7H-Cyclopenta[a]chrysen-7-one, 9-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-xylopyranosyl]oxy]eicosahydro-2,4-dihydroxy-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethyl-, (2S,3S,3aS,4S,5aR, 5bR,7aR,9S,11aR,11bR,13bR)- [ACD/Index 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: 862.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 253.7±27.8 °C
Index of Refraction: 1.599
Molar Refractivity: 196.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.20
ACD/KOC (pH 5.5): 549.34
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.20
ACD/KOC (pH 7.4): 549.34
Polar Surface Area: 216 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 575.3±5.0 cm3

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