ChemSpider 2D Image | (7E,9E,14E)-6-({2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid | C30H47N3O9S

(7E,9E,14E)-6-({2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID57642021
  • Double-bond stereo - Double-bond stereo


More details:






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

(7E,9E,14E)-6-({2-[(4-Amino-4-carboxy-1-hydroxybutyliden)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
(7E,9E,14E)-6-({2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl]thio]-5-hydroxy-, (7E,9E,14E)- [ACD/Index Name]
Acide (7E,9E,14E)-6-({2-[(4-amino-4-carboxy-1-hydroxybutylidène)amino]-3-[(carboxyméthyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 894.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.7±6.0 kJ/mol
Flash Point: 494.9±37.1 °C
Index of Refraction: 1.557
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 5.95
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 509.9±7.0 cm3

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