(2R)-2-(((4aR,6S,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid
Basic information
- CAS
19229-57-3- Standard SMILES
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O[C@H](C)C(=O)O- InChIKey
JPPMVSNCFXDOJX-BKIFYLKZSA-N- Molecular formula
- C25H29NO8
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- (2R)-2-(((4aR,6S,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid
- IUPAC
- (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
- English name
- Ac-alpha-benzyl-4,6-O-benzylidene-muramic acid
- Molecular formula
- C25H29NO8
- Molecular weight
- 471.5
Names & synonyms
2862-03-5ALPHA-BENZYL-4,6-O-BENZYLIDENE-MURAMIC ACID19229-57-3(2R)-2-(((4aR,6S,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acidBENZYL N-ACETYL-4,6-O-BENZYLIDENE-A-D-MURAMIC ACID(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 acidBenzyl N-Acetyl-4,6-O-benzylidene-alpha-D-muramic AcidBenzyl N-acetyl-4,6-O-benzylidenemuramic acidC25H29NO8MFCD00057299Ac-alpha-benzyl-4,6-O-benzylidene-muramic acidMaybridge1_006410
Show more names
Benzyl-4,6-o-benzylidene-N-acetyl-α-muramic acidN-acetyl-O1-benzyl-O4,O6-(R)-benzylidene-β-muramic acidβ-Muramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)BENZYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-3-O-[1-(R)-CARBOXYETHYL]-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE(2R)-2-(((4aR,6R,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Melting point
- 220 · 220-222°C
- Boiling point
- 717.7 · 717.7±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.33 · 3.33±0.10(Predicted)
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