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| CAS No.: | 72093-22-2 |
|---|---|
| Name: | MASTOPARAN X |
| Molecular Structure: | |
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| Formula: | C73H126N20O15S |
| Molecular Weight: | 1555.99 |
| Synonyms: | Mast celldegranulating peptide (Vespula lewisii), 3-L-tryptophan-5-glycine-6-L-isoleucine-9-L-methionine-13-L-leucine-;L-Leucinamide,L-isoleucyl-L-asparaginyl-L-tryptophyl-L-lysylglycyl-L-isoleucyl-L-alanyl-L-alanyl-L-methionyl-L-alanyl-L-lysyl-L-lysyl-L-leucyl-;Mastoparan 12a (Vespa magnifica venom);Mastoparan X; |
| Density: | 1.207 g/cm3 |
| Boiling Point: | 1797.4 °C at 760 mmHg |
| Flash Point: | 1040.8 °C |
| Appearance: | White lyophilised solid |
| Safety: | 22-24/25 |
| PSA: | 609.65000 |
| LogP: | 6.99990 |
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Specification
This chemical is called Mastoparan X, and its systematic name is Mast cell degranulating peptide (vespula lewisii), 3-L-tryptophan-5-glycine-6-L-isoleucine-9-L-methionine-13-L-leucine-. With the molecular formula of C73H126N20O15S, its product categories are Peptide; G-Protein. The CAS registry number of this chemical is 72093-22-2. Additionally, it should be stored at -15°C.
Other characteristics of the Mastoparan X can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -5.37; (4)ACD/LogD (pH 7.4): -5.03; (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: 35; (10)#H bond donors: 26; (11)#Freely Rotating Bonds: 58; (12)Polar Surface Area: 347.84 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 415.63 cm3; (15)Molar Volume: 1288.4 cm3; (16)Polarizability: 164.76×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 1040.8 °C; (20)Enthalpy of Vaporization: 292.46 kJ/mol; (21)Boiling Point: 1797.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C73H126N20O15S/c1-13-41(7)59(78)72(107)92-56(36-57(77)94)71(106)91-55(35-46-37-80-48-24-16-15-23-47(46)48)70(105)87-49(25-17-20-29-74)65(100)81-38-58(95)93-60(42(8)14-2)73(108)84-43(9)62(97)82-44(10)63(98)86-52(28-32-109-12)66(101)83-45(11)64(99)85-50(26-18-21-30-75)67(102)88-51(27-19-22-31-76)68(103)90-54(34-40(5)6)69(104)89-53(61(79)96)33-39(3)4/h15-16,23-24,37,39-45,49-56,59-60,80H,13-14,17-22,25-36,38,74-76,78H2,1-12H3,(H2,77,94)(H2,79,96)(H,81,100)(H,82,97)(H,83,101)(H,84,108)(H,85,99)(H,86,98)(H,87,105)(H,88,102)(H,89,104)(H,90,103)(H,91,106)(H,92,107)(H,93,95)/t41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60?/m0/s1
2.Smiles: c1(c2c([nH]c1)cccc2)C[C@@H](C(N[C@H](C(NCC(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC(C)C)C(=O)N)=O)CC(C)C)=O)=O)CCCCN)=O)C)=O)CCSC)=O)C)=O)C)=O)[C@H](CC)C)=O)=O)CCCCN)=O)NC([C@H](CC(=O)N)NC([C@H]([C@H](CC)C)N)=O)=O