ChemSpider 2D Image | UNII:WU713D62N9 | C41H58N4O8

UNII:WU713D62N9

  • Molecular FormulaC41H58N4O8
  • Average mass734.921 Da
  • Monoisotopic mass734.425476 Da
  • ChemSpider ID52083259

  • defined stereocentres - 2 of 12 defined stereocentres

More details:

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

3-[(23S,24R)-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-9,14,19,21-tetraen-9-yl ]propanoic acid [ACD/IUPAC Name]
3-[(23S,24R)-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-9,14,19,21-tetraen-9-yl ]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(23S,24R)-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-9,14,19,21-tétraé n-9-yl]propanoïque [French] [ACD/IUPAC Name]
UNII:WU713D62N9
VERTEPORFIN C ISOMER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 829.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 199.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 49.12
ACD/KOC (pH 7.4): 61.26
Polar Surface Area: 164 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 589.6±5.0 cm3

Click to predict properties on the Chemicalize site


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