((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid

Base Information

• Chemical Name: ((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid
• CAS No.: 117627-16-4
• Molecular Formula: C13H17 N2 O11 P
• Molecular Weight: 408.2977
• DSSTox Substance ID: DTXSID70922482

Synonyms:117626-87-6;((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid;117627-16-4;((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid;DTXSID70922482;{[5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid;1-(5-Acetyl-6-amino-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol;2-[[(2R,3S,4S,5S)-5-(3-acetyl-2-amino-6-oxo-2,5-dihydro-1H-pyridin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid

Chemical Property of ((5-(5-Acetyl-6-amino-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.612g/cm³
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 408.09338187
• Heavy Atom Count: 27
• Complexity: 710

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(C(=O)NC1N)C2C(C(C(O2)COP(=O)(CC(=O)O)O)O)O
• Isomeric SMILES: CC(=O)C1=CC(C(=O)NC1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O

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