ChemSpider 2D Image | (3alpha,5xi,9xi,10xi,24R)-3-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-24,25-dihydroxy-9,19-cyclolanostan-30-oic acid | C38H62O11

(3α,5ξ,9ξ,10ξ,24R)-3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9,19-cyclolanostan-30-oic acid

  • Molecular FormulaC38H62O11
  • Average mass694.892 Da
  • Monoisotopic mass694.429199 Da
  • ChemSpider ID57524654
  • defined stereocentres - 12 of 15 defined stereocentres


More details:






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

(3α,5ξ,9ξ,10ξ,24R)-3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9,19-cyclolanostan-30-oic acid [ACD/IUPAC Name]
(3α,5ξ,9ξ,10ξ,24R)-3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9,19-cyclolanostan-30-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanostan-30-oic acid, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-, (3α,5ξ,9ξ,10ξ,24R)- [ACD/Index Name]
Acide (3α,5ξ,9ξ,10ξ,24R)-3-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9,19-cyclolanostan-30-oïque [French] [ACD/IUPAC Name]
11076-68-9 [RN]
Lyofolic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 242.1±27.8 °C
Index of Refraction: 1.583
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 253.65
ACD/KOC (pH 5.5): 1098.96
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 17.70
Polar Surface Area: 183 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 538.9±5.0 cm3

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