CAS No.83461-56-7,N-Acetylmuramyl-alanyl-isoglutaminyl-alanyl-sn-glycero-3-phosphoethano lamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83461-56-7
Name:	N-Acetylmuramyl-alanyl-isoglutaminyl-alanyl-sn-glycero-3-phosphoethano lamine

Formula:	C₅₉H₁₀₉N₆O₁₉P
Molecular Weight:	1237.5
Synonyms:	Muramyl tripeptide phosphatidylethanolamine;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)-;Muramyl tripeptide;Muramyl tripeptide-1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine conjugate;CGP 19835;2-[2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxo-hexan-3-yl)oxypropanoylamino]propanoylamino]-4-carbamoyl-butanoyl]amino]propanoylamino]ethoxy-(2,3-dihexadecanoyloxypropoxy)phosphinic acid;Mlv 19835;Muramyl-tripeptide phosphatidylethanolamine;2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carbamoyl-butanoyl]amino]propanoyl]amino]ethoxy-[(2R)-2,3-dihexadecanoyloxypropoxy]phosphinic acid;L-Alaninamide,N-(N-acetylmuramoyl)-Lalanyl- D-R-glutaminyl-N-[(7R)-4-hydroxy- 4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,- 9-trioxa-4-phosphapentacos-1-yl]-;Muramyl tripeptide PE;Cgp 19853A lipid;Cgp-19835A;L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-.alpha.-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-;Mtp-PE;N-Acetyl-muramyl-L-alanyl-D-isoglutaminyl-L-alanine-(1-2-dipalmitoyl-sn-glycero-3-hydroxy-phosphoryl-oxy)-ethanolamine;MTP-PE/MF59 [Int Conf AIDS 1992 Jul 19-24;8(2): (abs no. PoA 2226);Cgp 19835 A;N-Acetylmuramyl-alanyl-isoglutaminyl-alanyl-sn-glycero-3-phosphoethanolamine;
Density:	1.152 g/cm³
PSA:	385.91000
LogP:	8.41710

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Specification

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