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

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

  • Molecular FormulaC14H23N3O8S
  • Average mass393.413 Da
  • Monoisotopic mass393.120575 Da
  • ChemSpider ID95671963

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.10
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.42
Polar Surface Area: 227 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 264.4±7.0 cm3

Click to predict properties on the Chemicalize site


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