ChemSpider 2D Image | (1R,2S,5S,8S,9S,14R,15R,17R,18R,21R,24R,26S,27S)-14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacos-11-ene-4,10,22,2 9-tetrone | C28H31ClO10

(1R,2S,5S,8S,9S,14R,15R,17R,18R,21R,24R,26S,27S)-14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,2 9-tetrone

  • Molecular FormulaC28H31ClO10
  • Average mass562.993 Da
  • Monoisotopic mass562.160583 Da
  • ChemSpider ID30812266

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2S,5S,8S,9S,14R,15R,17R,18R,21R,24R,26S,27S)-14-Chlor-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-en-4,10,22,29- tetron [German] [ACD/IUPAC Name]
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21R,24R,26S,27S)-14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,2 9-tetrone [ACD/IUPAC Name]
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21R,24R,26S,27S)-14-Chloro-5,15-dihydroxy-2,9,26-triméthyl-3,19,23,28-tétraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ène-4,10,22,2 9-tétrone [French] [ACD/IUPAC Name]
70241-09-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 85.08
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 85.08
Polar Surface Area: 146 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 353.5±5.0 cm3

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