ChemSpider 2D Image | (5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl 4,6-di-O-acetylhexopyranoside | C30H48O8

(5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl 4,6-di-O-acetylhexopyranoside

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID4580307

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl 4,6-di-O-acetylhexopyranoside [ACD/IUPAC Name]
(5E)-6-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-2-methyl-5-hepten-2-yl-4,6-di-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
4,6-Di-O-acétylhexopyranoside de (5E)-6-[(1S,3E,7E)-4,8-diméthyl-3,7-cyclodécadién-1-yl]-2-méthyl-5-heptén-2-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (4E)-5-[(1S,3E,7E)-4,8-dimethyl-3,7-cyclodecadien-1-yl]-1,1-dimethyl-4-hexen-1-yl, 4,6-diacetate [ACD/Index Name]
calyculaglycoside B
calyculaglycoside C

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

NSC693536 [DBID]
NSC693537 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 189.8±25.0 °C
Index of Refraction: 1.524
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 58725.53
ACD/KOC (pH 5.5): 90179.47
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 58724.95
ACD/KOC (pH 7.4): 90178.58
Polar Surface Area: 112 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


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