ChemSpider 2D Image | (3beta,9beta,12beta,17alpha)-12-Hydroxy-3-(beta-D-mannopyranosyloxy)dammar-24-en-20-yl 6-O-beta-D-lyxopyranosyl-beta-D-mannopyranoside | C47H80O17

(3β,9β,12β,17α)-12-Hydroxy-3-(β-D-mannopyranosyloxy)dammar-24-en-20-yl 6-O-β-D-lyxopyranosyl-β-D-mannopyranoside

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID29314908

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,9β,12β,17α)-12-Hydroxy-3-(β-D-mannopyranosyloxy)dammar-24-en-20-yl 6-O-β-D-lyxopyranosyl-β-D-mannopyranoside [ACD/IUPAC Name]
(3β,9β,12β,17α)-12-Hydroxy-3-(β-D-mannopyranosyloxy)dammar-24-en-20-yl-6-O-β-D-lyxopyranosyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Lyxopyranosyl-β-D-mannopyranoside de (3β,9β,12β,17α)-12-hydroxy-3-(β-D-mannopyranosyloxy)dammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, (3β,9β,12β,17α)-12-hydroxy-3-(β-D-mannopyranosyloxy)dammar-24-en-20-yl 6-O-β-D-lyxopyranosyl- [ACD/Index Name]
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9S,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
80321-63-7 [RN]
Gynostemma Extract
Gypenoside IV

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

Density: 1.4±0.1 g/cm3
Boiling Point: 982.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.3±6.0 kJ/mol
Flash Point: 548.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.67
ACD/KOC (pH 5.5): 1617.92
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.67
ACD/KOC (pH 7.4): 1617.92
Polar Surface Area: 278 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 672.1±5.0 cm3

Click to predict properties on the Chemicalize site


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