Found 1 result

Search term: ZTGGVKXNOBHWBN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | kipukasin A | C22H26N2O10

kipukasin A

  • Molecular FormulaC22H26N2O10
  • Average mass478.449 Da
  • Monoisotopic mass478.158752 Da
  • ChemSpider ID23311503
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-O-Acetyl-2,5-anhydro-1-deoxy-4-O-(2,4-dimethoxy-6-methylbenzoyl)-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-allitol [ACD/IUPAC Name]
3-O-acetyl-2,5-anhydro-1-deoxy-4-O-(2,4-dimethoxy-6-methylbenzoyl)-1-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-D-allitol
3-O-Acetyl-2,5-anhydro-1-desoxy-4-O-(2,4-dimethoxy-6-methylbenzoyl)-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-allitol [German] [ACD/IUPAC Name]
3-O-Acétyl-2,5-anhydro-1-désoxy-4-O-(2,4-diméthoxy-6-méthylbenzoyl)-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 2,5-anhydro-1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 3-acetate 4-(2,4-dimethoxy-6-methylbenzoate) [ACD/Index Name]
kipukasin A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 55.81
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 55.48
Polar Surface Area: 150 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 337.4±5.0 cm3

Click to predict properties on the Chemicalize site






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