ChemSpider 2D Image | (7aR,9R,11bR)-1-Acetoxy-9-[(R)-3-furyl(beta-L-glucopyranosyloxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxododecahydro-5H-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acid | C34H46O15

(7aR,9R,11bR)-1-Acetoxy-9-[(R)-3-furyl(β-L-glucopyranosyloxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxododecahydro-5H-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acid

  • Molecular FormulaC34H46O15
  • Average mass694.720 Da
  • Monoisotopic mass694.283691 Da
  • ChemSpider ID7985986

  • defined stereocentres - 9 of 14 defined stereocentres

More details:

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

(7aR,9R,11bR)-1-Acetoxy-9-[(R)-3-furyl(β-L-glucopyranosyloxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxododecahydro-5H-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acid [ACD/IUPAC Name]
Spiro[naphth[2,1-c]oxepin-8(5H),2'-oxirane]-3'-carboxylic acid, 1-(acetyloxy)-9-[(R)-3-furanyl(β-L-glucopyranosyloxy)methyl]dodecahydro-5,5,7a,9,11b-pentamethyl-3,7-dioxo-, (7aR,9R,11bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.9±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 477.1±5.0 cm3

Click to predict properties on the Chemicalize site


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