ChemSpider 2D Image | Bis(2-methyl-2-propanyl) {[3-(carbamimidamidomethyl)-2,7-naphthalenediyl]bis[oxy(1-oxo-4,1-butanediyl)imino{(2S)-1-[2-(5-acetamido-2-methoxybenzoyl)hydrazino]-1-oxo-6,2-hexanediyl}]}biscarbamate (non- preferred name) | C62H87N13O16

Bis(2-methyl-2-propanyl) {[3-(carbamimidamidomethyl)-2,7-naphthalenediyl]bis[oxy(1-oxo-4,1-butanediyl)imino{(2S)-1-[2-(5-acetamido-2-methoxybenzoyl)hydrazino]-1-oxo-6,2-hexanediyl}]}biscarbamate (non- preferred name)

  • Molecular FormulaC62H87N13O16
  • Average mass1270.432 Da
  • Monoisotopic mass1269.639404 Da
  • ChemSpider ID58859459

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{[3-(Carbamimidamidométhyl)-2,7-naphtalènediyl]bis[oxy(1-oxo-4,1-butanediyl)imino{(2S)-1-[2-(5-acétamido-2-méthoxybenzoyl)hydrazino]-1-oxo-6,2-hexanediyl}]}biscarbamate de bis(2-méthyl-2-propanyle) (n on-preferred name) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) {[3-(carbamimidamidomethyl)-2,7-naphthalenediyl]bis[oxy(1-oxo-4,1-butanediyl)imino{(2S)-1-[2-(5-acetamido-2-methoxybenzoyl)hydrazino]-1-oxo-6,2-hexanediyl}]}biscarbamate (non- preferred name) [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-{[3-(carbamimidamidomethyl)-2,7-naphthalindiyl]bis[oxy(1-oxo-4,1-butandiyl)imino{(2S)-1-[2-(5-acetamido-2-methoxybenzoyl)hydrazino]-1-oxo-6,2-hexandiyl}]}biscarbamat (non-pref erred name) [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 331.6±0.5 cm3
#H bond acceptors: 29
#H bond donors: 14
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 408 Å2
Polarizability: 131.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 970.0±7.0 cm3

Click to predict properties on the Chemicalize site


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