ChemSpider 2D Image | DIPYRROLYLMETHANEMETHYL-L-CYSTEINE | C23H29N3O10S

DIPYRROLYLMETHANEMETHYL-L-CYSTEINE

  • Molecular FormulaC23H29N3O10S
  • Average mass539.555 Da
  • Monoisotopic mass539.157349 Da
  • ChemSpider ID52085664

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

DIPYRROLYLMETHANEMETHYL-L-CYSTEINE
L-Cysteine, S-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
S-{[4-(2-Carboxyethyl)-5-{[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-L-cystein [German] [ACD/IUPAC Name]
S-{[4-(2-Carboxyethyl)-5-{[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-L-cysteine [ACD/IUPAC Name]
S-{[4-(2-Carboxyéthyl)-5-{[4-(2-carboxyéthyl)-3-(carboxyméthyl)-1H-pyrrol-2-yl]méthyl}-3-(carboxyméthyl)-1H-pyrrol-2-yl]méthyl}-L-cystéine [French] [ACD/IUPAC Name]

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

T7F4XZR2KS [DBID]
UNII:T7F4XZR2KS [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 852.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 346.7±3.0 cm3

Click to predict properties on the Chemicalize site


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