Found 14 results

Search term: MF = 'C_{24}H_{31}ClO_{10}'
ChemSpider 2D Image | (1R,2S,3S,4R,7S,8R,9S,11S,13S,14R,17R)-13-Chloro-2,11-dihydroxy-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.0~1,14~.0~3,8~]octadecane-4,2'-oxirane]-7,9-diyl diacetate | C24H31ClO10

(1R,2S,3S,4R,7S,8R,9S,11S,13S,14R,17R)-13-Chloro-2,11-dihydroxy-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7,9-diyl diacetate

  • Molecular FormulaC24H31ClO10
  • Average mass514.950 Da
  • Monoisotopic mass514.160583 Da
  • ChemSpider ID34981285

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3S,4R,7S,8R,9S,11S,13S,14R,17R)-13-Chloro-2,11-dihydroxy-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7,9-diyl diacetate [ACD/IUPAC Name]
fragilisinin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 368.4±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 117.97
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.94
Polar Surface Area: 141 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

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