ChemSpider 2D Image | (24E)-22,26,28-Trihydroxy-28-oxo-9,19-cyclolanost-24-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid | C42H66O16

(24E)-22,26,28-Trihydroxy-28-oxo-9,19-cyclolanost-24-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid

  • Molecular FormulaC42H66O16
  • Average mass826.964 Da
  • Monoisotopic mass826.435059 Da
  • ChemSpider ID77484132

  • Double-bond stereo - Double-bond stereo

More details:

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

(24E)-22,26,28-Trihydroxy-28-oxo-9,19-cyclolanost-24-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid [ACD/IUPAC Name]
(24E)-22,26,28-Trihydroxy-28-oxo-9,19-cyclolanost-24-en-3-yl-2-O-hexopyranosylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-28-oic acid, 3-[(2-O-hexopyranosylhexopyranuronosyl)oxy]-22,26-dihydroxy-, (24E)- [ACD/Index Name]
Acide 2-O-hexopyranosylhexopyranosiduronique de (24E)-22,26,28-trihydroxy-28-oxo-9,19-cyclolanost-24-én-3-yle [French] [ACD/IUPAC Name]
6-[[7-carboxy-15-[(E)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Compound NP-018078

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1018.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.5±6.0 kJ/mol
Flash Point: 302.2±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 204.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 574.3±5.0 cm3

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