ChemSpider 2D Image | N-Acetyl-L-seryl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine | C50H71N13O12

N-Acetyl-L-seryl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine

  • Molecular FormulaC50H71N13O12
  • Average mass1046.179 Da
  • Monoisotopic mass1045.534546 Da
  • ChemSpider ID8829014

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Phenylalanine, N-acetyl-L-seryl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl- [ACD/Index Name]
N-Acetyl-L-seryl-N5-(diaminomethylen)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-Acetyl-L-seryl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
N-Acétyl-L-séryl-N5-(diaminométhylène)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
N-acetyl-L-seryl-N5-(diaminomethylidene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine
HO-CH2-CH(NHAc)-CO-Arg-Val-Tyr-Val-His-Pro-Phe [Ac-ser1]Ang

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 270.4±0.5 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 395 Å2
Polarizability: 107.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 733.9±7.0 cm3

Click to predict properties on the Chemicalize site


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