ChemSpider 2D Image | (1beta,3beta,16beta,22S)-1-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl 6-deoxy-alpha-L-mannopyranoside | C39H64O12

(1β,3β,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID9541037
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(1β,3β,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(1β,3β,16β,22S)-1-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (1β,3β,16β,22S)-1-[(6-désoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl 6-deoxy- [ACD/Index Name]
(22S)-16[β]-[([α]-L-rhamnopyranosyl)oxy]-3[β],22-dihydroxycholesta-5,24-dien-1[β]-yl [α]-L-rhamnopyranoside
790300-68-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 845.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.8±6.0 kJ/mol
Flash Point: 465.4±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 188.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 644.58
ACD/KOC (pH 5.5): 3568.46
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 644.57
ACD/KOC (pH 7.4): 3568.42
Polar Surface Area: 199 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 551.3±5.0 cm3

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