Found 6 results

Search term: LOVVVDDAKZKPHZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-4-{6-[(2R,4aR,5aS,9S,9aS,10aS)-2,9-Dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-hydroxy-3-methylbutanoic acid (no n-preferred name) | C31H32O12

(3S)-4-{6-[(2R,4aR,5aS,9S,9aS,10aS)-2,9-Dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-hydroxy-3-methylbutanoic acid (no n-preferred name)

  • Molecular FormulaC31H32O12
  • Average mass596.579 Da
  • Monoisotopic mass596.189392 Da
  • ChemSpider ID113600527

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3S)-4-{6-[(2R,4aR,5aS,9S,9aS,10aS)-2,9-Dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-hydroxy-3-methylbutanoic acid (no n-preferred name) [ACD/IUPAC Name]
(3S)-4-{6-[(2R,4aR,5aS,9S,9aS,10aS)-2,9-Dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-hydroxy-3-methylbutansäure (non-p referred name) [German] [ACD/IUPAC Name]
Acide (3S)-4-{6-[(2R,4aR,5aS,9S,9aS,10aS)-2,9-diméthyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl}-3-hydroxy-3-méthylbutanoïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 258.1±26.4 °C
Index of Refraction: 1.615
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 15.27
ACD/KOC (pH 5.5): 97.70
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


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