Found 7 results

Search term: NYQXKINSRDCSCG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-4-isopropenyl-7,11-dimethyl-15,17,18-trioxatetracyclo[11.2.2.1~2,6~.0~1,14~]octadeca-7,10-diene-9,16-dione | C20H24O7

(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-4-isopropenyl-7,11-dimethyl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione

  • Molecular FormulaC20H24O7
  • Average mass376.400 Da
  • Monoisotopic mass376.152191 Da
  • ChemSpider ID28498153

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-4-isopropenyl-7,11-dimethyl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-dien-9,16-dion [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-4-isopropenyl-7,11-dimethyl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione [ACD/IUPAC Name]
(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-4-isopropényl-7,11-diméthyl-15,17,18-trioxatétracyclo[11.2.2.12,6.01,14]octadéca-7,10-diène-9,16-dione [French] [ACD/IUPAC Name]
15,17,18-Trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione, 5,6-dihydroxy-7,11-dimethyl-4-(1-methylethenyl)-, (1R,2S,4R,5R,6S,7Z,10Z,13R,14R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 210.1±23.6 °C
Index of Refraction: 1.599
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 95.11
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 95.09
Polar Surface Area: 106 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

Click to predict properties on the Chemicalize site


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