Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | (1R,3S,4S,5S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-6-(decanoyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | C36H50O14

(1R,3S,4S,5S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-6-(decanoyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID4952785

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1R,3S,4S,5S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-6-(decanoyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octan-3,4,5-tricarbonsäure [German] [ACD/IUPAC Name]
(1R,3S,4S,5S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-6-(decanoyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid [ACD/IUPAC Name]
Acide (1R,3S,4S,5S,6R,7R)-1-[(7E)-4-acétoxy-5-méthyl-8-phényl-7-octén-1-yl]-6-(decanoyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylique [French] [ACD/IUPAC Name]
(1R,3S,4S,5S,6R,7R)-1-[(7E)-4-(ACETYLOXY)-5-METHYL-8-PHENYLOCT-7-EN-1-YL]-6-(DECANOYLOXY)-4,7-DIHYDROXY-2,8-DIOXABICYCLO[3.2.1]OCTANE-3,4,5-TRICARBOXYLIC ACID
155179-15-0 [RN]
L-glycero-D-altro-Pentadec-14-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13,14,15-hexptadeoxy-12-methyl-15-phenyl-, 11-acetate 5-decanoate, (7S,11ξ,12ξ,14E)-
L-glycero-D-altro-Pentadec-14-en-7-ulo-7,4-furanosonicacid,2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13,14,15-heptadeoxy-12-methyl-15-phenyl-,11-acetate 5-decanoate, (7S,11x,12x,14E)- (9CI)
Zaragozic acid D(2)
Zaragozic acid D2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 834.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 252.7±27.8 °C
Index of Refraction: 1.579
Molar Refractivity: 176.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 10.63
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 223 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 531.2±5.0 cm3

Click to predict properties on the Chemicalize site


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