2-[2-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-3-yl]acetic acid

Base Information

• Chemical Name: 2-[2-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-3-yl]acetic acid
• CAS No.: 95061-84-0
• Molecular Formula: C16H19 N O9
• Molecular Weight: 369.32
• DSSTox Substance ID: DTXSID90915134

Synonyms:7-hydroxy-2-oxoindole-3-acetic acid 7'-O-glucopyranoside;7-OH-OXIAA-Glc

Chemical Property of 2-[2-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-3-yl]acetic acid

Chemical Property:

• Vapor Pressure: 8.92E-23mmHg at 25°C
• Boiling Point: 736.5°Cat760mmHg
• Flash Point: 399.2°C
• PSA: 165.78000
• Density: 1.603g/cm³
• LogP: -1.48630
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 369.10598118
• Heavy Atom Count: 26
• Complexity: 544

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)C(C(=O)N2)CC(=O)O
• Isomeric SMILES: C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C(=O)N2)CC(=O)O

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