ChemSpider 2D Image | 4-Hydroxy-6-({4'-hydroxy-6-[(3-hydroxy-2-{[4-hydroxy-6-{[7'-hydroxy-7'-(1-hydroxyethyl)-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymet hyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl 3, 5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) | C61H90Cl2O32

4-Hydroxy-6-({4'-hydroxy-6-[(3-hydroxy-2-{[4-hydroxy-6-{[7'-hydroxy-7'-(1-hydroxyethyl)-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymet hyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl 3, 5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)

  • Molecular FormulaC61H90Cl2O32
  • Average mass1406.254 Da
  • Monoisotopic mass1404.479248 Da
  • ChemSpider ID95637021

More details:

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: 1.602
Molar Refractivity: 321.1±0.4 cm3
#H bond acceptors: 32
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 13.30
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 116702.84
ACD/KOC (pH 5.5): 95187.52
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 2241.68
ACD/KOC (pH 7.4): 1828.41
Polar Surface Area: 388 Å2
Polarizability: 127.3±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 935.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement