ChemSpider 2D Image | Deltorphin | C44H62N10O10S2

Deltorphin

  • Molecular FormulaC44H62N10O10S2
  • Average mass955.154 Da
  • Monoisotopic mass954.409180 Da
  • ChemSpider ID2299380
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

Deltorphin [Wiki]
Deltorphin A
Dermenkephalin
L-Tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl-L-α-asparagin [German] [ACD/IUPAC Name]
L-Tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl-L-α-asparagine [ACD/IUPAC Name]
L-Tyrosyl-D-méthionyl-L-phénylalanyl-L-histidyl-L-leucyl-L-méthionyl-L-α-asparagine [French] [ACD/IUPAC Name]
L-α-Asparagine, L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl- [ACD/Index Name]
Tyr-D-met-phe-his-leu-met-asp-NH2
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid
119975-64-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1425.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 227.7±3.0 kJ/mol
Flash Point: 816.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 250.3±0.3 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 381 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 725.0±3.0 cm3

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