ChemSpider 2D Image | N~2~-[(2S)-2-({[(2S)-1-{N-[(2S)-2-{[2-({[(2S)-1-{N~2~-[(2S,3R)-2-{[(2S)-2-Amino-5-carbamimidamido-1-hydroxypentylidene]amino}-1,3-dihydroxybutylidene]-L-arginyl-L-prolyl}-2-pyrrolidinyl](hydroxy)methy
lene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-phenylpropylidene]-L-seryl}-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxy-3-phenylpropylidene]-L-arginine | C60H92N20O14

N2-[(2S)-2-({[(2S)-1-{N-[(2S)-2-{[2-({[(2S)-1-{N2-[(2S,3R)-2-{[(2S)-2-Amino-5-carbamimidamido-1-hydroxypentylidene]amino}-1,3-dihydroxybutylidene]-L-arginyl-L-prolyl}-2-pyrrolidinyl](hydroxy)methy lene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-phenylpropylidene]-L-seryl}-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxy-3-phenylpropylidene]-L-arginine

  • Molecular FormulaC60H92N20O14
  • Average mass1317.498 Da
  • Monoisotopic mass1316.710205 Da
  • ChemSpider ID57265386
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

N2-[(2S)-2-({[(2S)-1-{N-[(2S)-2-{[2-({[(2S)-1-{N2-[(2S,3R)-2-{[(2S)-2-Amino-5-carbamimidamido-1-hydroxypentyliden]amino}-1,3-dihydroxybutyliden]-L-arginyl-L-prolyl}-2-pyrrolidinyl](hydroxy)methyle ; n}amino)-1-hydroxyethyliden]amino}-1-hydroxy-3-phenylpropyliden]-L-seryl}-2-pyrrolidinyl](hydroxy)methylen}amino)-1-hydroxy-3-phenylpropyliden]-L-arginin [German] [ACD/IUPAC Name]
N2-[(2S)-2-({[(2S)-1-{N-[(2S)-2-{[2-({[(2S)-1-{N2-[(2S,3R)-2-{[(2S)-2-Amino-5-carbamimidamido-1-hydroxypentylidene]amino}-1,3-dihydroxybutylidene]-L-arginyl-L-prolyl}-2-pyrrolidinyl](hydroxy)methy ; lene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-phenylpropylidene]-L-seryl}-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxy-3-phenylpropylidene]-L-arginine [ACD/IUPAC Name]
N2-[(2S)-2-({[(2S)-1-{N-[(2S)-2-{[2-({[(2S)-1-{N2-[(2S,3R)-2-{[(2S)-2-Amino-5-carbamimidamido-1-hydroxypentylidène]amino}-1,3-dihydroxybutylidène]-L-arginyl-L-prolyl}-2-pyrrolidinyl](hydroxy)méthy ; lène}amino)-1-hydroxyéthylidène]amino}-1-hydroxy-3-phénylpropylidène]-L-séryl}-2-pyrrolidinyl](hydroxy)méthylène}amino)-1-hydroxy-3-phénylpropylidène]-L-arginine [French] [ACD/IUPAC Name]
94015-41-5 [RN]
POLISTESKININ JT

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1435.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 229.6±3.0 kJ/mol
Flash Point: 821.9±37.1 °C
Index of Refraction: 1.696
Molar Refractivity: 333.9±0.5 cm3
#H bond acceptors: 34
#H bond donors: 24
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 579 Å2
Polarizability: 132.4±0.5 10-24cm3
Surface Tension: 71.0±7.0 dyne/cm
Molar Volume: 867.8±7.0 cm3

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