Found 1 result

Search term: phycoviolobilin (Found by synonym)
ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(2R)-4-methyl-5-oxo-3-[(1R)-1-sulfanylethyl]-1,2-dihydropyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propanoic acid | C33H42N4O6S

3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(2R)-4-methyl-5-oxo-3-[(1R)-1-sulfanylethyl]-1,2-dihydropyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H42N4O6S
  • Average mass622.775 Da
  • Monoisotopic mass622.282532 Da
  • ChemSpider ID13085353

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Phycoviolobilin
PVN

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 168.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 51.02
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 454.7±7.0 cm3

Click to predict properties on the Chemicalize site


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