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ChemSpider 2D Image | Talaporfin | C38H41N5O9


  • Molecular FormulaC38H41N5O9
  • Average mass711.760 Da
  • Monoisotopic mass711.290405 Da
  • ChemSpider ID16737134
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

110230-98-3 [RN]
Acide N-{2-[(2S,3S)-7-carboxy-3-(2-carboxyéthyl)-12-éthyl-2,8,13,18-tétraméthyl-17-vinyl-2,3-dihydro-5-porphyrineyl]acétyl}-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[2-[(7S,8S)-3-carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl]acetyl]- [ACD/Index Name]
N-{[(2S,3S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-asparaginsäure [German] [ACD/IUPAC Name]
N-{[(2S,3S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-aspartic acid [ACD/IUPAC Name]
N-{[(2S,3S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydroporphyrin-5-yl]acetyl}-L-aspartic acid
talaporfina [Spanish] [INN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1218.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.6±3.0 kJ/mol
Flash Point: 690.5±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.62
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: 236 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 523.6±3.0 cm3

Click to predict properties on the Chemicalize site