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19229-57-3 | β-Muramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)
CAS No: 19229-57-3 Catalog No: AG002FTO MDL No:MFCD00057299
Product Description
Catalog Number:
AG002FTO
Chemical Name:
β-Muramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)
CAS Number:
19229-57-3
Molecular Formula:
C25H29NO8
Molecular Weight:
471.4997
MDL Number:
MFCD00057299
IUPAC Name:
(2R)-2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
InChI:
InChI=1S/C25H29NO8/c1-15(23(28)29)32-22-20(26-16(2)27)25(30-13-17-9-5-3-6-10-17)33-19-14-31-24(34-21(19)22)18-11-7-4-8-12-18/h3-12,15,19-22,24-25H,13-14H2,1-2H3,(H,26,27)(H,28,29)/t15-,19-,20-,21-,22-,24?,25+/m1/s1
InChI Key:
JPPMVSNCFXDOJX-BKIFYLKZSA-N
SMILES:
CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H]2[C@H]([C@@H]1OC(C(=O)O)C)OC(OC2)c1ccccc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
471.189g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
471.506g/mol
Monoisotopic Mass:
471.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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