ChemSpider 2D Image | (2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-Dimethyl-6-{(2E,4E)-3-methyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten-
2-yl acetate | C27H41NO9

(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-Dimethyl-6-{(2E,4E)-3-methyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten- 2-yl acetate

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID4951743
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-Dimethyl-6-{(2E,4E)-3-methyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten- 2-yl acetate [ACD/IUPAC Name]
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-Dimethyl-6-{(2E,4E)-3-methyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxo-3-penten- 2-yl-acetat [German] [ACD/IUPAC Name]
2-Pentenamide, 4-(acetyloxy)-N-[(2R,3R,5S,6S)-tetrahydro-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl]-2H-pyran-3-yl]- , (2Z,4S)- [ACD/Index Name]
Acétate de (2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-diméthyl-6-{(2E,4E)-3-méthyl-5-[(3S,4R,5R,7R,8R)-4,7,8-trihydroxy-7-méthyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadién-1-yl}tétrahydro-2H-pyran-3-yl]amino}-5-ox o-3-pentén-2-yle [French] [ACD/IUPAC Name]
(2Z,4S)-
146478-73-1 [RN]
2-Pentenamide,4-(acetyloxy)-N-[(2R,3R,5S,6S)-tetrahydro-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5S,7R,8R)-4,5,8-trihydroxy-5-methyl-1,6-dioxaspiro[2.5]oct-7-yl]-2,4-pentadien-1-yl]-2H-pyran-3-yl]-,
2-PENTENAMIDE,4-(ACETYLOXY)-N-[(2R,3R,5S,6S)-TETRAHYDRO-2,5-DIMETHYL-6-[(2E,4E)-3-METHYL-5-[(3R,4R,5S,7R,8R)-4,5,8-TRIHYDROXY-5-METHYL-1,6-DIOXASPIRO[2.5]OCT-7-YL]-2,4-PENTADIEN-1-YL]-2H-PYRAN-3-YL]-,(2Z,4S)-
FR901465
WB 2663C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 398.7±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.67
ACD/KOC (pH 5.5): 202.05
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.67
ACD/KOC (pH 7.4): 202.05
Polar Surface Area: 147 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 417.0±5.0 cm3

Click to predict properties on the Chemicalize site






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