Found 6 results

Search term: WFVNZHRELNLEFI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3R)-N-(3-{(8S)-8-[(3S,4E)-3,5-Dimethyl-6-oxo-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-3-hydroxy-2-methyl-4-[({(2S,3S)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran- 2-yl}acetyl)amino]butanamide | C40H66N2O8

(2S,3R)-N-(3-{(8S)-8-[(3S,4E)-3,5-Dimethyl-6-oxo-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-3-hydroxy-2-methyl-4-[({(2S,3S)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran- 2-yl}acetyl)amino]butanamide

  • Molecular FormulaC40H66N2O8
  • Average mass702.961 Da
  • Monoisotopic mass702.481934 Da
  • ChemSpider ID28283078

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R)-N-(3-{(8S)-8-[(3S,4E)-3,5-Dimethyl-6-oxo-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-3-hydroxy-2-methyl-4-[({(2S,3S)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran- 2-yl}acetyl)amino]butanamid [German] [ACD/IUPAC Name]
(2S,3R)-N-(3-{(8S)-8-[(3S,4E)-3,5-Dimethyl-6-oxo-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-3-hydroxy-2-methyl-4-[({(2S,3S)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran- 2-yl}acetyl)amino]butanamide [ACD/IUPAC Name]
(2S,3R)-N-(3-{(8S)-8-[(3S,4E)-3,5-Diméthyl-6-oxo-4-heptén-1-yl]-3-méthyl-1,7-dioxaspiro[5.5]undéc-2-yl}propyl)-3-hydroxy-2-méthyl-4-[(2-{(2S,3S)-3-méthyl-6-[(3E)-2-oxo-3-pentén-1-yl]tétrahydro-2H-pyra n-2-yl}acétyl)amino]butanamide [French] [ACD/IUPAC Name]
2H-Pyran-2-acetamide, N-[(2R,3S)-4-[[3-[(8S)-8-[(3S,4E)-3,5-dimethyl-6-oxo-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-2-hydroxy-3-methyl-4-oxobutyl]tetrahydro-3-methyl-6-[(3E) -2-oxo-3-penten-1-yl]-, (2S,3S)- [ACD/Index Name]
Bistramide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 879.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.1±6.0 kJ/mol
Flash Point: 485.4±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 195.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1431.08
ACD/KOC (pH 5.5): 6315.73
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1431.08
ACD/KOC (pH 7.4): 6315.73
Polar Surface Area: 140 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 632.9±5.0 cm3

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