ChemSpider 2D Image | D-Tryptophyl-D-alanyl-D-allothreonylglycyl-D-histidyl-L-phenylalanyl-D-methioninamide | C40H53N11O8S

D-Tryptophyl-D-alanyl-D-allothreonylglycyl-D-histidyl-L-phenylalanyl-D-methioninamide

  • Molecular FormulaC40H53N11O8S
  • Average mass847.983 Da
  • Monoisotopic mass847.379944 Da
  • ChemSpider ID30776676

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

D-Tryptophyl-D-alanyl-D-allothreonylglycyl-D-histidyl-L-phenylalanyl-D-methioninamid [German] [ACD/IUPAC Name]
D-Tryptophyl-D-alanyl-D-allothreonylglycyl-D-histidyl-L-phenylalanyl-D-methioninamide [ACD/IUPAC Name]
D-Tryptophyl-D-alanyl-D-allothréonylglycyl-D-histidyl-L-phénylalanyl-D-méthioninamide [French] [ACD/IUPAC Name]
L-Phenylalaninamide, D-tryptophyl-D-alanyl-D-allothreonylglycyl-D-histidyl-N-[(1R)-1-(hydroxyiminomethyl)-3-(methylthio)propyl]- [ACD/Index Name]
(2R)-2-[(2S)-2-[(2R)-2-{2-[(2R,3R)-2-[(2R)-2-[(2R)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfa
(2R)-2-[(2S)-2-[(2R)-2-{2-[(2R,3R)-2-[(2R)-2-[(2R)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid
Neuromedin B (4-10)
Trp-Ala-Thr-Gly-His-Phe-Met-NH2

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

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: 1.682
Molar Refractivity: 222.1±0.5 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -4.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 586.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement