ChemSpider 2D Image | (4E)-4-Amino-5-{[(1Z)-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-{[(E)-2-hydroxy-2-methoxyvinyl]amino}-1-propen-2-yl]amino}-1,4-pentadiene-1,1,5-triol | C14H23N3O8S

(4E)-4-Amino-5-{[(1Z)-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-{[(E)-2-hydroxy-2-methoxyvinyl]amino}-1-propen-2-yl]amino}-1,4-pentadiene-1,1,5-triol

  • Molecular FormulaC14H23N3O8S
  • Average mass393.413 Da
  • Monoisotopic mass393.120575 Da
  • ChemSpider ID95646940

More details:

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

(4E)-4-Amino-5-{[(1Z)-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-{[(E)-2-hydroxy-2-methoxyvinyl]amino}-1-propen-2-yl]amino}-1,4-pentadien-1,1,5-triol [German] [ACD/IUPAC Name]
(4E)-4-Amino-5-{[(1Z)-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-{[(E)-2-hydroxy-2-methoxyvinyl]amino}-1-propen-2-yl]amino}-1,4-pentadiene-1,1,5-triol [ACD/IUPAC Name]
(4E)-4-Amino-5-{[(1Z)-3-{[(1Z)-1,2-dihydroxy-1-propén-1-yl]sulfanyl}-1-hydroxy-1-{[(E)-2-hydroxy-2-méthoxyvinyl]amino}-1-propén-2-yl]amino}-1,4-pentadiène-1,1,5-triol [French] [ACD/IUPAC Name]
1,4-Pentadiene-1,1,5-triol, 4-amino-5-[[(Z)-1-[[[(1Z)-1,2-dihydroxy-1-propen-1-yl]thio]methyl]-2-hydroxy-2-[[(E)-2-hydroxy-2-methoxyethenyl]amino]ethenyl]amino]-, (4E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.94
Polar Surface Area: 226 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 88.2±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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