ChemSpider 2D Image | VERTEPORFIN C ISOMER | C41H42N4O8

VERTEPORFIN C ISOMER

  • Molecular FormulaC41H42N4O8
  • Average mass718.794 Da
  • Monoisotopic mass718.300293 Da
  • ChemSpider ID8072289
  • Double-bond stereo - Double-bond stereo


More details:






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

3-[(1Z,7Z,12Z,16Z)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27), 12,14,16,18(25),19,21-dodecaen-9-yl]propanoic acid [ACD/IUPAC Name]
3-[(1Z,7Z,12Z,16Z)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27), 12,14,16,18(25),19,21-dodecaen-9-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(1Z,7Z,12Z,16Z)-22,23-bis(méthoxycarbonyl)-5-(3-méthoxy-3-oxopropyl)-4,10,15,24-tétraméthyl-14-vinyl-25,26,27,28-tétraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,1 1(27),12,14,16,18(25),19,21-dodécaén-9-yl]propanoïque [French] [ACD/IUPAC Name]
VERTEPORFIN C ISOMER
129497-78-5 [RN]
133513-12-9 [RN]
MFCD11982858
MFCD28098202
Verteporfin [Wiki]
WU713D62N9

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1063.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 596.7±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 191.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.08
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 174 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 529.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement