ChemSpider 2D Image | (3beta,5alpha,9beta,11beta,15alpha,16beta,24R)-11,15,16,24-Tetrahydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl beta-D-xylopyranoside | C32H48O10

(3β,5α,9β,11β,15α,16β,24R)-11,15,16,24-Tetrahydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl β-D-xylopyranoside

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID8184193

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β,5α,9β,11β,15α,16β,24R)-11,15,16,24-Tetrahydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,9β,11β,15α,16β,24R)-11,15,16,24-Tetrahydroxy-4,4,14-trimethyl-23-oxo-9,19:16,24-dicyclochol-7-en-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
5H,10H-Cycloprop[e]indeno[2,1-a]phenanthren-10-one, 1,2,3,4,6,7,7a,7b,8,9,11,11a,12,12a,14,14a-hexadecahydro-6,11,11a,12-tetrahydroxy-1,1,7a,8,12a-pentamethyl-2-(β-D-xylopyranosyloxy)-, (2S,4aR,5aS ,6S,7aR,7bR,8R,11R,11aS,12R,12aR,14aR)- [ACD/Index Name]
β-D-Xylopyranoside de (3β,5α,9β,11β,15α,16β,24R)-11,15,16,24-tétrahydroxy-4,4,14-triméthyl-23-oxo-9,19:16,24-dicyclochol-7-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 239.8±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 106.67
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.66
Polar Surface Area: 177 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 411.7±5.0 cm3

Click to predict properties on the Chemicalize site


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