Found 50 results

Search term: MF = 'C_{26}H_{44}O_{10}'
ChemSpider 2D Image | (1S,3S,5S,8S,9R,11S,13R)-8,11,13-Trihydroxy-5-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9-dimethoxy-16,16-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecane-7,15-dione | C26H44O10

(1S,3S,5S,8S,9R,11S,13R)-8,11,13-Trihydroxy-5-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9-dimethoxy-16,16-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecane-7,15-dione

  • Molecular FormulaC26H44O10
  • Average mass516.622 Da
  • Monoisotopic mass516.293457 Da
  • ChemSpider ID27025512

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3S,5S,8S,9R,11S,13R)-8,11,13-Trihydroxy-5-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9-dimethoxy-16,16-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-7,15-dion [German] [ACD/IUPAC Name]
(1S,3S,5S,8S,9R,11S,13R)-8,11,13-Trihydroxy-5-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9-dimethoxy-16,16-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecane-7,15-dione [ACD/IUPAC Name]
(1S,3S,5S,8S,9R,11S,13R)-8,11,13-Trihydroxy-5-[(2Z,4R)-4-(hydroxyméthyl)-2-hexén-2-yl]-3,9-diméthoxy-16,16-diméthyl-6,17-dioxabicyclo[11.3.1]heptadécane-7,15-dione [French] [ACD/IUPAC Name]
peloruside D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.57
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 81.56
Polar Surface Area: 152 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 422.3±5.0 cm3

Click to predict properties on the Chemicalize site


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