ChemSpider 2D Image | N~2~-Acetyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N~5~-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide | C46H83N13O11

N2-Acetyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide

  • Molecular FormulaC46H83N13O11
  • Average mass994.232 Da
  • Monoisotopic mass993.633484 Da
  • ChemSpider ID8482304

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

L-Prolinamide, N2-acetyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl- [ACD/Index Name]
N2-Acetyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylen)-L-ornithyl-N-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
N2-Acetyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide [ACD/IUPAC Name]
N2-Acétyl-L-glutaminyl-L-valyl-D-alloisoleucyl-L-thréonyl-L-norvalyl-L-isoleucyl-N5-(diaminométhylène)-L-ornithyl-N-éthyl-L-prolinamide [French] [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: 1.604
Molar Refractivity: 256.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 381 Å2
Polarizability: 101.8±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 746.1±7.0 cm3

Click to predict properties on the Chemicalize site


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