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Leu-Enkephalin (sulfated)

  • Name Leu-Enkephalin (sulfated)
  • EINECSN/A
  • CAS No. 80632-52-6
  • Density1.371 g/cm3
  • PSA251.70000
  • LogP2.65810
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC28H37N5O10S
  • Boiling PointN/A
  • Molecular Weight635.695
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 80632-52-6 (L-Leucine,O-sulfo-L-tyrosylglycylglycyl-L-phenylalanyl-)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

Leu-Enkephalin (sulfated) Specification

The CAS register number of Leu-Enkephalin (sulfated) is 80632-52-6. It also can be called as L-Leucine, N-(N-(N-(N-(O-sulfo-L-tyrosyl)glycyl)glycyl)-L-phenylalanyl)- and the IUPAC name about this chemical is (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid. The molecular formula about this chemical is C28H37N5O10S and molecular weight is 635.69.

Physical properties about Leu-Enkephalin (sulfated) are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 15; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 171.76Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 157.9 cm3; (15)Molar Volume: 463.6 cm3; (16)Polarizability: 62.59x10-24cm3; (17)Surface Tension: 62.2 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc1ccc(cc1)C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc2ccccc2)N)O
(2)InChI: InChI=1/C28H37N5O10S/c1-17(2)12-23(28(38)39)33-27(37)22(14-18-6-4-3-5-7-18)32-25(35)16-30-24(34)15-31-26(36)21(29)13-19-8-10-20(11-9-19)43-44(40,41)42/h3-11,17,21-23H,12-16,29H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)(H,33,37)(H,38,39)(H,40,41,42)/t21-,22-,23-/m0/s1
(3)InChIKey: WMLDZIPRMZWLPL-VABKMULXBL
(4)Std. InChI: InChI=1S/C28H37N5O10S/c1-17(2)12-23(28(38)39)33-27(37)22(14-18-6-4-3-5-7-18)32-25(35)16-30-24(34)15-31-26(36)21(29)13-19-8-10-20(11-9-19)43-44(40,41)42/h3-11,17,21-23H,12-16,29H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)(H,33,37)(H,38,39)(H,40,41,42)/t21-,22-,23-/m0/s1
(5)Std. InChIKey: WMLDZIPRMZWLPL-VABKMULXSA-N

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