Found 10 results

Search term: MF = 'C_{17}H_{20}O_{11}'
ChemSpider 2D Image | (3S,6R,7S,8R,10S,13S,22R)-6,7,13,18,22-Pentahydroxy-2,4,9,11,15-pentaoxatetracyclo[15.3.1.1~10,13~.0~3,8~]docosa-1(21),17,19-trien-16-one | C17H20O11

(3S,6R,7S,8R,10S,13S,22R)-6,7,13,18,22-Pentahydroxy-2,4,9,11,15-pentaoxatetracyclo[15.3.1.110,13.03,8]docosa-1(21),17,19-trien-16-one

  • Molecular FormulaC17H20O11
  • Average mass400.334 Da
  • Monoisotopic mass400.100555 Da
  • ChemSpider ID28285243

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,6R,7S,8R,10S,13S,22R)-6,7,13,18,22-Pentahydroxy-2,4,9,11,15-pentaoxatetracyclo[15.3.1.110,13.03,8]docosa-1(21),17,19-trien-16-on [German] [ACD/IUPAC Name]
(3S,6R,7S,8R,10S,13S,22R)-6,7,13,18,22-Pentahydroxy-2,4,9,11,15-pentaoxatetracyclo[15.3.1.110,13.03,8]docosa-1(21),17,19-trien-16-one [ACD/IUPAC Name]
(3S,6R,7S,8R,10S,13S,22R)-6,7,13,18,22-Pentahydroxy-2,4,9,11,15-pentaoxatétracyclo[15.3.1.110,13.03,8]docosa-1(21),17,19-trién-16-one [French] [ACD/IUPAC Name]
8H-2,5-Methano-9,13-metheno-4H,16H-pyrano[3,2-d][1,3,6,13]tetraoxacyclohexadecin-8-one, 5,6,14a,17,18,18a-hexahydro-5,10,17,18,20-pentahydroxy-, (2S,5S,14aS,17R,18S,18aR,20R)- [ACD/Index Name]
linderofruticoside A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 783.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 286.2±26.4 °C
Index of Refraction: 1.638
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.74
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.54
Polar Surface Area: 164 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

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