ChemSpider 2D Image | (3beta,11alpha,16beta,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 6-deoxy-alpha-L-mannopyranoside | C33H54O8

(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC33H54O8
  • Average mass578.777 Da
  • Monoisotopic mass578.381897 Da
  • ChemSpider ID57641799
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (3β,11α,16β,22S)-3,11,22-trihydroxycholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,11α,16β,22S)-3,11,22-trihydroxycholesta-5,24-dien-16-yl 6-deoxy- [ACD/Index Name]
(22S)-Cholesta-5,24-diene-3[β],11[β],16[β],22-tetrol 16-O-[α]-L-rhamnopyranoside
145476-93-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.83
ACD/KOC (pH 5.5): 3076.10
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.83
ACD/KOC (pH 7.4): 3076.09
Polar Surface Area: 140 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 464.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement