ChemSpider 2D Image | (4a'R,6'R,7'R,8'R,8a'S)-6'-[(3a'R,4'R,5a'R,9a'R,9b'S)-Hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine-8',1''-cyclohexan]-4'-yloxy]hexahydrospiro[cyclohexane-1,2'-pyrano[3, 2-d][1,3]dioxine]-7',8'-diol | C30H46O11

(4a'R,6'R,7'R,8'R,8a'S)-6'-[(3a'R,4'R,5a'R,9a'R,9b'S)-Hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine-8',1''-cyclohexan]-4'-yloxy]hexahydrospiro[cyclohexane-1,2'-pyrano[3, 2-d][1,3]dioxine]-7',8'-diol

  • Molecular FormulaC30H46O11
  • Average mass582.680 Da
  • Monoisotopic mass582.304016 Da
  • ChemSpider ID9181592

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4a'R,6'R,7'R,8'R,8a'S)-6'-[(3a'R,4'R,5a'R,9a'R,9b'S)-Hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine-8',1''-cyclohexan]-4'-yloxy]hexahydrospiro[cyclohexane-1,2'-pyrano[3, 2-d][1,3]dioxine]-7',8'-diol [ACD/IUPAC Name]
(4'aR,6'R,7'R,8'R,8'aS)-6'-[(1'R,2'S,6'R,7'R,9'R)-dispiro[cyclohexane-1,4'-[3,5,8,11,13]pentaoxatricyclo[7.4.0.02,?]tridecane-12',1''-cyclohexane]oxy]-hexahydrospiro[cyclohexane-1,2'-pyrano[3,2-d][1,3]dioxine]-7',8'-diol
152310-18-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5200.59
ACD/KOC (pH 5.5): 15905.34
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5200.55
ACD/KOC (pH 7.4): 15905.21
Polar Surface Area: 124 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 424.5±5.0 cm3

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