ChemSpider 2D Image | N~5~-(Diaminomethylene)-N~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithyl-L-phenylalaninamide | C27H35N7O4S

N5-(Diaminomethylene)-N2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithyl-L-phenylalaninamide

  • Molecular FormulaC27H35N7O4S
  • Average mass553.676 Da
  • Monoisotopic mass553.247131 Da
  • ChemSpider ID2340324

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalaninamide, N5-(diaminomethylene)-N2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-L-ornithyl- [ACD/Index Name]
N5-(Diaminomethylen)-N2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-N2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-ornithyl-L-phenylalaninamide [ACD/IUPAC Name]
N5-(Diaminométhylène)-N2-{[5-(diméthylamino)-1-naphtyl]sulfonyl}-L-ornithyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(2S)-N-[(1S)-1-CARBAMOYL-2-PHENYLETHYL]-5-[(DIAMINOMETHYLIDENE)AMINO]-2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]PENTANAMIDE
122061-69-2 [RN]
dansyl-arginyl-phenylalaninamide
Dansyl-arg-phe-NH2
Dansyl-tfa
Dns-rfa
More...

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: 1.650
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.37
Polar Surface Area: 194 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 409.4±7.0 cm3

Click to predict properties on the Chemicalize site


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