ChemSpider 2D Image | (2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-23,26,41-Tris(4-aminobutyl)-77-{[(2S)-2-{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino}-3-hyd
roxypropanoyl]amino}-2,14,59-tris(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-68-benzyl-8-[(2S)-2-butanyl]-50-(3-carbamimidamidopropyl)-62-(carboxymethyl)-20,56-bis(4-hydroxybenzyl)-65-[(1R)-1-hydrox
yethyl]-11-(hydroxymethyl)-53-[(1R)-1-hydrox | C145H232N40O43S

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-23,26,41-Tris(4-aminobutyl)-77-{[(2S)-2-{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino}-3-hyd roxypropanoyl]amino}-2,14,59-tris(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-68-benzyl-8-[(2S)-2-butanyl]-50-(3-carbamimidamidopropyl)-62-(carboxymethyl)-20,56-bis(4-hydroxybenzyl)-65-[(1R)-1-hydrox yethyl]-11-(hydroxymethyl)-53-[(1R)-1-hydrox

  • Molecular FormulaC145H232N40O43S
  • Average mass3255.701 Da
  • Monoisotopic mass3253.691650 Da
  • ChemSpider ID28528368
  • defined stereocentres - 31 of 31 defined stereocentres


More details:






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

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-23,26,41-Tris(4-aminobutyl)-77-{[(2S)-2-{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino}-3-hyd roxypropanoyl]amino}-2,14,59-tris(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-68-benzyl-8-[(2S)-2-butanyl]-50-(3-carbamimidamidopropyl)-62-(carboxymethyl)-20,56-bis(4-hydroxybenzyl)-65-[(1R)-1-hydrox yethyl]-11-(hydroxymethyl)-53-[(1R)-1-hydrox [ACD/IUPAC Name]
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-23,26,41-Tris(4-aminobutyl)-77-{[(2S)-2-{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino}-3-hyd roxypropanoyl]amino}-2,14,59-tris(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-68-benzyl-8-[(2S)-2-butanyl]-50-(3-carbamimidamidopropyl)-62-(carboxymethyl)-20,56-bis(4-hydroxybenzyl)-65-[(1R)-1-hydrox yethyl]-11-(hydroxymethyl)-53-[(1R)-1-hydrox [German] [ACD/IUPAC Name]
Acide (2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-23,26,41-tris(4-aminobutyl)-77-{[(2S)-2-{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino} -3-hydroxypropanoyl]amino}-2,14,59-tris(2-amino-2-oxoéthyl)-38-(3-amino-3-oxopropyl)-68-benzyl-8-[(2S)-2-butanyl]-50-(3-carbamimidamidopropyl)-62-(carboxyméthyl)-20,56-bis(4-hydroxybenzyl)-65-[(1R)-1- hydroxyéthyl]-11-(hydroxyméthyl)-53-[(1R)-1- [French] [ACD/IUPAC Name]
40077-57-4 [RN]
Porcine vasoactive intestinal octacosapeptide
Vasoactive intestinal octacosapeptide (pig)
Vasoactive intestinal octacosapeptide (swine)

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 812.6±0.5 cm3
#H bond acceptors: 83
#H bond donors: 57
#Freely Rotating Bonds: 111
#Rule of 5 Violations: 3
ACD/LogP: -2.62
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: 1411 Å2
Polarizability: 322.1±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 2218.6±7.0 cm3

Click to predict properties on the Chemicalize site






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