ChemSpider 2D Image | (1S,4E,6S,7S,10R,11R,14S)-7,10-Dihydroxy-4-isopropyl-7,11-dimethyl-15,17-dioxatetracyclo[9.4.2.0~1,14~.0~6,10~]heptadec-4-en-16-one | C20H30O5

(1S,4E,6S,7S,10R,11R,14S)-7,10-Dihydroxy-4-isopropyl-7,11-dimethyl-15,17-dioxatetracyclo[9.4.2.01,14.06,10]heptadec-4-en-16-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID35517126

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4E,6S,7S,10R,11R,14S)-7,10-Dihydroxy-4-isopropyl-7,11-dimethyl-15,17-dioxatetracyclo[9.4.2.01,14.06,10]heptadec-4-en-16-on [German] [ACD/IUPAC Name]
(1S,4E,6S,7S,10R,11R,14S)-7,10-Dihydroxy-4-isopropyl-7,11-dimethyl-15,17-dioxatetracyclo[9.4.2.01,14.06,10]heptadec-4-en-16-one [ACD/IUPAC Name]
(1S,4E,6S,7S,10R,11R,14S)-7,10-Dihydroxy-4-isopropyl-7,11-diméthyl-15,17-dioxatétracyclo[9.4.2.01,14.06,10]heptadéc-4-én-16-one [French] [ACD/IUPAC Name]
3H-4,11a-(Epoxymethano)cyclopenta[6,7]cycloundec[1,2-b]oxiren-12-one, 1a,2,4,4a,5,6,7,7a,10,11-decahydro-4a,7-dihydroxy-4,7-dimethyl-9-(1-methylethyl)-, (1aS,4R,4aR,7S,7aS,8E,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 179.1±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.70
ACD/KOC (pH 5.5): 375.08
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.70
ACD/KOC (pH 7.4): 375.08
Polar Surface Area: 79 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 282.9±5.0 cm3

Click to predict properties on the Chemicalize site


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