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Muramic acid, N-acetyl- (10597-89-4)

Identification
Name:Muramic acid, N-acetyl-
Synonyms:D-Glucose,2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-, (R)-;D-Glucose,2-acetamido-3-O-(D-1-carboxyethyl)-2-deoxy- (7CI,8CI);(+)-N-Acetylmuramicacid;N-Acetylmuramic acid;
CAS:10597-89-4
EINECS: 234-214-2
Molecular Formula: C11H19NO8
Molecular Weight: 293.2705
InChI: InChI=1/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/p-1/t4-,6-,7-,8-,9-,11+/m1/s1
Molecular Structure: (C11H19NO8) D-Glucose,2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-, (R)-;D-Glucose,2-acetamido-3-O-(D-1-carboxy...
Properties
Density:1.404 g/cm3
Appearance:white
Specification:

The IUPAC name of N-Acetylmuramic acid is (2R)-2-[(2S,4S,5S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid. With the CAS registry number 10597-89-4, it is also named as (R)-2-Acetamido-3-O-(1-carboxyethyl)-2-deoxy-D-glucose. The product is white powder, which should be stored in closed, cool and dry place. Its molecular formula is C11H19NO8 and molecular weight is 293.27. In addition, it is used in biochemical study.

The other characteristics of N-Acetylmuramic acid can be summarized as: (1)EINECS: 234-214-2; (2)ACD/LogP: -1.59; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -3.74; (5)ACD/LogD (pH 7.4): -5.17; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 9; (11)H bond donors: 5; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 92.76 Å2; (14)Index of Refraction: 1.557; (15)Molar Refractivity: 64.3 cm3; (16)Molar Volume: 199.5 cm3; (17)Polarizability: 25.49×10-24cm3; (18)Surface Tension: 69.4 dyne/cm; (19)Density: 1.46 g/cm3; (20)Flash Point: 375 °C; (21)Melting point: 125 °C; (22)Enthalpy of Vaporization: 116.61 kJ/mol; (23)Boiling Point: 696.5 °C at 760 mmHg; (24)Vapour Pressure: 1.95E-22 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: N-Acetylmuramic acid is harmful by inhalation, in contact with skin and if swallowed. Besides, it is possible risk of irreversible effects. When you use it, please wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H](O[C@@H]1[C@H](O)C(O[C@H](O)C1NC(=O)C)CO)C
(2)InChI:InChI=1/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6?,7?,8-,9+,11+/m1/s1
(3)InChIKey:MNLRQHMNZILYPY-PZYPBGQPBL
(4)Std. InChI:InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6?,7?,8-,9+,11+/m1/s1
(5)Std. InChIKey:MNLRQHMNZILYPY-PZYPBGQPSA-N

Storage Temperature: 2-8°C
Safety Data
Hazard Symbols Xn: Harmful
 

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