CAS No.53678-77-6,N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53678-77-6
Name:	N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE
Article Data:	21

Formula:	C₁₉H₃₂N₄O₁₁
Molecular Weight:	492.483
Synonyms:	D-a-Glutamine,N2-[N-(N-acetylmuramoyl)-L-alanyl]-;2: PN: WO2009039971 PAGE: 99 claimedsequence;Acetylmuramyl-L-alanyl-D-isoglutamine;Muramyl dipeptide;N-(Acetylmuramoyl)alanyl-D-isoglutamine;N-(Acetylmuramyl)-L-alanyl-D-isoglutamine;N-Acetylmuramyl dipeptide;N-Acetylmuramyl-L-alanine-D-isoGln;N-Acetylmuramyl-L-alanyl-D-isoglnamine hydrate;
EINECS:	258-696-9
Density:	1.45 g/cm³
Boiling Point:	1023.75 °C at 760 mmHg
Flash Point:	572.943 °C
Solubility:	H₂O: 10 mg/mL, clear, colorless
Safety:	22-24/25
PSA:	246.84000
LogP:	-2.45220

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Specification

The D-alpha-Glutamine,N-(N-acetylmuramoyl)-L-alanyl-, with the CAS registry number 53678-77-6, is also known as N-Acetylmuramyl-L-alanyl-D-isoglutamine. Its EINECS registry number is 258-696-9. This chemical's molecular formula is C₁₉H₃₂N₄O₁₁ and molecular weight is 492.206758. Its IUPAC name is called (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid. This chemical's classification codes are Adjuvants, Immunologic; Immunologic Factors; Reproductive Effect. When you are using this chemical, please be cautious about it. You should not breathe its dust and avoid contacting it with skin and eyes.

Physical properties of D-alpha-Glutamine,N-(N-acetylmuramoyl)-L-alanyl-: (1)ACD/LogP: -3.03; (2)# of Rule of 5 Violations: 2 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 15; (8)#H bond donors: 9; (9)#Freely Rotating Bonds: 15 ; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 112.584 cm³; (12)Molar Volume: 339.217 cm³; (13)Surface Tension: 73.854 dyne/cm; (14)Density: 1.452 g/cm³; (15)Flash Point: 572.943 °C; (16)Enthalpy of Vaporization: 169.383 kJ/mol; (17)Boiling Point: 1023.75 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)CO)C)C)CCC(=O)O
(2)InChI: InChI=1/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19?/m0/s1
(3)InChIKey: BSOQXXWZTUDTEL-QAQREVAFBN