ChemSpider 2D Image | N-({(1S)-5-[4-(13-{[2,4-Bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid | C29H46N8O15

N-({(1S)-5-[4-(13-{[2,4-Bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid

  • Molecular FormulaC29H46N8O15
  • Average mass746.720 Da
  • Monoisotopic mass746.308289 Da
  • ChemSpider ID25057611

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-({(1S)-5-[4-(13-{[2,4-bis(dihydroxyamino)phényl]amino}-2,5,8,11-tétraoxatridéc-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-5-[4-[13-[[2,4-bis(dihydroxyamino)phenyl]amino]-2,5,8,11-tetraoxatridec-1-yl]-1H-1,2,3-triazol-1-yl]-1-carboxypentyl]amino]carbonyl]- [ACD/Index Name]
N-({(1S)-5-[4-(13-{[2,4-Bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid [ACD/IUPAC Name]
N-({(1S)-5-[4-(13-{[2,4-Bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 173.2±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -7.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 492.8±7.0 cm3

Click to predict properties on the Chemicalize site


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