ChemSpider 2D Image | ajugose | C36H62O31

ajugose

  • Molecular FormulaC36H62O31
  • Average mass990.859 Da
  • Monoisotopic mass990.327515 Da
  • ChemSpider ID390155

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

512-72-1 [RN]
ajugose
α-D-Galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->6)- [ACD/Index Name]
β-D-Fructofuranosyl α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
&α;-D-Galp-(1->6)-&α;-D-Galp-(1->6)-&α;-D-Galp-(1-6)-&α;-D-Galp-(1->6)-&α;-D-Glcp-(1->2)-&β;-D-Fruf
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-DIHYDROXY-2,5-BIS(HYDROXYMETHYL)OXOLAN-2-YL]OXY-3,4,5-TRIHYDROXY-OXAN-2-YL]METHOXY]-3,4,5-TRIHYDROXY-OXAN-2-YL]METHOXY]-6-[[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S,5S,
α-Galactosyl-(1-6)-α-galactosyl-(1-6)-α-galactosyl-(1-6)-α-galactosyl-(1-6)-α-glucosyl-(1-2)-β-fructose
β-D-Galp-(1->6)-β-D-Galp-(1->6)-β-D-Galp-(1->6)-β-D-Galp-(1->6)-α-D-Glcp-(1<->;2)-β-D-Fruf

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

C08238 [DBID]
  • Miscellaneous

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1312.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 222.1±6.0 kJ/mol
Flash Point: 747.5±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 205.7±0.4 cm3
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.75
ACD/LogD (pH 5.5): -6.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 506 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 134.2±5.0 dyne/cm
Molar Volume: 528.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement