ChemSpider 2D Image | N-{3-[(2R)-18-(2-Carboxyethyl)-3,3,7,12,17-pentamethyl-2,3-dihydro-2-porphyrinyl]propanoyl}valine | C36H43N5O5

N-{3-[(2R)-18-(2-Carboxyethyl)-3,3,7,12,17-pentamethyl-2,3-dihydro-2-porphyrinyl]propanoyl}valine

  • Molecular FormulaC36H43N5O5
  • Average mass625.757 Da
  • Monoisotopic mass625.326416 Da
  • ChemSpider ID10469754

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-{3-[(2R)-18-(2-Carboxyéthyl)-3,3,7,12,17-pentaméthyl-2,3-dihydro-2-porphyrineyl]propanoyl}valine [French] [ACD/IUPAC Name]
N-{3-[(2R)-18-(2-Carboxyethyl)-3,3,7,12,17-pentamethyl-2,3-dihydro-2-porphyrinyl]propanoyl}valin [German] [ACD/IUPAC Name]
N-{3-[(2R)-18-(2-Carboxyethyl)-3,3,7,12,17-pentamethyl-2,3-dihydro-2-porphyrinyl]propanoyl}valine [ACD/IUPAC Name]
Valine, N-[3-[(7R)-3-(2-carboxyethyl)-7,8-dihydro-2,8,8,12,17-pentamethyl-21H,23H-porphin-7-yl]-1-oxopropyl]- [ACD/Index Name]
valine bonellin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1068.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.1±3.0 kJ/mol
Flash Point: 600.1±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 172.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.28
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: 161 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 506.8±3.0 cm3

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