ChemSpider 2D Image | (3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(S)-3-Furyl(beta-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylate | C32H41O14

(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(S)-3-Furyl(β-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylate

  • Molecular FormulaC32H41O14
  • Average mass649.660 Da
  • Monoisotopic mass649.250183 Da
  • ChemSpider ID26330855

  • Charge - Charge

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(S)-3-Furyl(β-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylate [ACD/IUPAC Name]
Spiro[1H,3H-naphtho[1',2':3,4]furo[3,2-c]pyran-9(6H),2'-oxirane]-3'-carboxylic acid, 10-[(S)-3-furanyl(β-D-glucopyranosyloxy)methyl]decahydro-6,6,8a,10-tetramethyl-3,8-dioxo-, ion(1-), (3'S,4aS,6aR ,8aR,9R,10S,12aR,12bR)- [ACD/Index Name]
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(β-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxyl
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(β-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylate
ATE
glucosyl-limonin
limonin 17-β-D-glucoside anion
limonin 17-β-D-glucoside(1-)
  • Miscellaneous

    • Chemical Class:

      The conjugate base of limonin 17-beta-D-glucoside arising from deprotonation of the carboxy group. ChEBI CHEBI:57626

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

Density:
Boiling Point: 866.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 478.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement