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The Mifamurtide, with the CAS registry number 83461-56-7, is also known as N-Acetyl-muramyl-L-alanyl-D-isoglutaminyl-L-alanine-(1-2-dipalmitoyl-sn-glycero-3-hydroxy-phosphoryl-oxy)-ethanolamine. This chemical's molecular formula is C59H109N6O19P and molecular weight is 1237.5. What's more, its systematic name is L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-alpha-glutaminyl-N-(4-hydroxy-10-oxo-7-((1-oxohexadecyl)oxy)-3,5,9-trioxa-4-phosphapentacos-1-yl)-, P-oxide, (R)-. Its classification codes are: (1)Adjuvants, Immunologic; (2)Immunologic Factors.
Physical properties of Mifamurtide are: (1)ACD/LogP: 10.98; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 7.57; (4)ACD/LogD (pH 7.4): 7.48; (5)ACD/BCF (pH 5.5): 50983.92; (6)ACD/BCF (pH 7.4): 41030.72; (7)ACD/KOC (pH 5.5): 8780.39; (8)ACD/KOC (pH 7.4): 7066.26; (9)#H bond acceptors: 25; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 57; (12)Polar Surface Area: 275.18 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 319.13 cm3; (15)Molar Volume: 1032.6 cm3; (16)Polarizability: 126.51×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.19 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)[C@@H](NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](OC1[C@H](O)[C@H](O[C@@H](O)[C@@H]1NC(=O)C)CO)C)C)C)CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46+,47+,48+,52+,53+,54?,59+/m0/s1
(3)InChIKey: JMUHBNWAORSSBD-SHXJQDTLSA-N