ChemSpider 2D Image | kipukasin B | C21H24N2O10

kipukasin B

  • Molecular FormulaC21H24N2O10
  • Average mass464.423 Da
  • Monoisotopic mass464.143097 Da
  • ChemSpider ID23311504

  • 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-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)-D-allitol [ACD/IUPAC Name]
3-O-acetyl-2,5-anhydro-1-deoxy-1-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)-D-allitol
3-O-Acetyl-2,5-anhydro-1-desoxy-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)-D-allitol [German] [ACD/IUPAC Name]
3-O-Acétyl-2,5-anhydro-1-désoxy-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-O-(4-hydroxy-2-méthoxy-6-méthylbenzoyl)-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-(4-hydroxy-2-methoxy-6-methylbenzoate) [ACD/Index Name]
kipukasin B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 60.28
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 45.21
Polar Surface Area: 161 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 312.5±5.0 cm3

Click to predict properties on the Chemicalize site


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