ChemSpider 2D Image | FL5750100 | C41H63NO14

FL5750100

  • Molecular FormulaC41H63NO14
  • Average mass793.937 Da
  • Monoisotopic mass793.424866 Da
  • ChemSpider ID8589

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-méthylbutanoate de (3β,4α,6α,7α,15α,16β)-6,7-diacétoxy-4,14,16,20-tétrahydroxy-15-{[(2R)-2-méthylbutanoyl]oxy}-4,9-époxycévan-3-yle [French] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-méthylbutanoate de (3β,4α,9β,15α)-6,7-diacétoxy-4,14,16,20-tétrahydroxy-15-{[(2R)-2-méthylbutanoyl]oxy}-4,9-époxycévan-3-yle [French] [ACD/IUPAC Name]
(3β,4α,6α,7α,15α,16β)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
(3β,4α,6α,7α,15α,16β)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl-(2S)-2-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
(3β,4α,9β,15α)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
(3β,4α,9β,15α)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl-(2S)-2-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
(3β,6α,7α,15α,16β)-6,7-bis(acetyloxy)-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate
(3β,6α,7α,15α,16β)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate
[3b(S),4a,6a,7a,15a(R),16b]-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-Diacetate 3-(2-Hydroxy-2-methylbutanoate) 15-(2-Methyl butanoate)
143-57-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XP343X1HJU [DBID]
AIDS011891 [DBID]
AIDS-011891 [DBID]
BRN 0077415 [DBID]
C10815 [DBID]
NSC 23865 [DBID]
NSC 7526 [DBID]
NSC23865 [DBID]
NSC7526 [DBID]
UNII:XP343X1HJU [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 810.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.2±6.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 198.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 6.52
ACD/KOC (pH 7.4): 89.39
Polar Surface Area: 219 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 583.5±5.0 cm3

Click to predict properties on the Chemicalize site


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