ChemSpider 2D Image | 17(R),18(S)-dihydroxy-19(R),20(S)-dimethoxysesterstatin 5 | C26H42O8

17(R),18(S)-dihydroxy-19(R),20(S)-dimethoxysesterstatin 5

  • Molecular FormulaC26H42O8
  • Average mass482.607 Da
  • Monoisotopic mass482.287964 Da
  • ChemSpider ID83287032

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3S,3aR,4S,5aS,5bR,7aR,11aR,11bS,13R,13aR,13bS)-3,3a,4,13,13b-Pentahydroxy-1-methoxy-5b,8,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-9(1H)-on [German] [ACD/IUPAC Name]
(1R,3S,3aR,4S,5aS,5bR,7aR,11aR,11bS,13R,13aR,13bS)-3,3a,4,13,13b-Pentahydroxy-1-methoxy-5b,8,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-9(1H)-one [ACD/IUPAC Name]
(1R,3S,3aR,4S,5aS,5bR,7aR,11aR,11bS,13R,13aR,13bS)-3,3a,4,13,13b-Pentahydroxy-1-méthoxy-5b,8,8,11a,13a-pentaméthyloctadécahydrochryséno[1,2-c]furan-9(1H)-one [French] [ACD/IUPAC Name]
17(R),18(S)-dihydroxy-19(R),20(S)-dimethoxysesterstatin 5
Chryseno[1,2-c]furan-9(1H)-one, octadecahydro-3,3a,4,13,13b-pentahydroxy-1-methoxy-5b,8,8,11a,13a-pentamethyl-, (1R,3S,3aR,4S,5aS,5bR,7aR,11aR,11bS,13R,13aR,13bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 194.0±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.42
ACD/KOC (pH 5.5): 663.30
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.41
ACD/KOC (pH 7.4): 663.18
Polar Surface Area: 137 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 362.9±5.0 cm3

Click to predict properties on the Chemicalize site


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