Basic information
- CAS
2495-54-7- Standard SMILES
CC(=O)N(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
VPBPTHOOANATTD-UNJWAJPSSA-N- Molecular formula
- C21H21NO8
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.12671663
Names & identifiers
- Preferred name
- Acetohydroxamic acid fluoren-2-YL-O-glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-[acetyl(9H-fluoren-2-yl)amino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- Sodium(N-acetyl-N-2-fluorenylhydroxylaminebeta-D-gluconsid)uronate
- Molecular formula
- C21H21NO8
- Molecular weight
- 415.39
Names & synonyms
CCRIS 42382495-54-7ACETOHYDROXAMIC ACID FLUOREN-2-YL-O-GLUCURONIDEAcetohydroxamic acid, fluoren-2-yl-O-glucuronideD1WO71B32M1-((Acetyl-9H-fluoren-2-ylamino)oxy)-1-deoxy-beta-D-glucopyranuronic acidUNII-D1WO71B32MN-Hydroxy-2-acetylaminofluorene-O-glucuronideO-Glucuronide, N-hydroxy-2-acetylaminofluorene1-[(ACETYL-9H-FLUOREN-2-YLAMINO)OXY]-1-DEOXY-BETA-D-GLUCOPYRANURONIC ACIDDTXSID60179660N-HYDROXY-2-ACETYLAMINOFLUORENE GLUCURONIDE
Show more names
Citronellyl methacrylateβ-D-Glucopyranuronic acid, 1-O-(acetyl-9H-fluoren-2-ylamino)- (9CI)
N-HYDROXY-2-ACETYLAMINOFLUORENE O-GLUCURONIDEQ272759831-O-[N-(9H-Fluoren-2-yl)acetamido]-beta-D-glucopyranuronic acid.BETA.-D-GLUCOPYRANURONIC ACID, 1-O-(ACETYL-9H-FLUOREN-2-YLAMINO)-SODIUM(N-ACETYL-N-2-FLUORENYLHYDROXYLAMINEBETA-D-GLUCONSID)URONATE
Database identifiers
- CAS
2495-54-7- PubChem CID
- 92183
- DTXSID
DTXSID60179660- UNII
- D1WO71B32M
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 545.39 °C · 545.39°C (rough estimate)
- Density
- 1.441 · 1.4410 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- FDA UNII
- 1 WO71B32M · D1WO71B32M
Chemistry & industry
Suppliers3 total
山东洛克化工有限公司17653113209 13065062079 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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