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CAS No.: | 72103-53-8 |
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Name: | TUFTSIN ACETATE SALT |
Molecular Structure: | |
Formula: | C25H48N8O10 |
Molecular Weight: | 620.70 |
Synonyms: | L-Arginine, N2-(1-(N2-L-threonyl-L-lysyl)-L-prolyl)-, diacetate (salt)4;Acetic acid; 2-[[1-[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;Acetic acid; (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid; |
PSA: | 289.78000 |
LogP: | 0.53410 |
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This chemical is called Tuftsin, and its systematic name is L-Arginine, N2-(1-(N2-L-threonyl-L-lysyl)-L-prolyl)-, diacetate (salt)4. With the molecular formula of C25H48N8O10, its molecular weight is 620.70. The CAS registry number of this chemical is 72103-53-8.
Other characteristics of the Tuftsin can be summarised as followings: (1)ACD/LogP: -2.59; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -6.9; (4)ACD/LogD (pH 7.4): -6.16; (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: 14; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 121.78 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@H](C(=O)O)CCC/N=C(\N)N)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCCN)CCC1.O=C(O)C.O=C(O)C
2.InChI: InChI=1/C21H40N8O6.2C2H4O2/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25;2*1-2(3)4/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26);2*1H3,(H,3,4)/t12-,13+,14+,15+,16+;;/m1../s1
3.InChIKey: YIIURIAYCWLLNZ-DZOCJTNEBK