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Name |
Leu-Enkephalin (sulfated) |
EINECS | N/A |
CAS No. | 80632-52-6 | Density | 1.371 g/cm3 |
PSA | 251.70000 | LogP | 2.65810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C28H37N5O10S | Boiling Point | N/A |
Molecular Weight | 635.695 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Leucine,N-[N-[N-[N-(O-sulfo-L-tyrosyl)glycyl]glycyl]-L-phenylalanyl]-;Leu-Enkephalin (sulfated);H-Tyr(SO3H)-Gly-Gly-Phe-Leu-OH; |
Article Data | 2 |
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