Basic information
- CAS
2106-10-7- Standard SMILES
OC[C@H]1OC(F)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
ATMYEINZLWEOQU-GASJEMHNSA-N- Molecular formula
- C6H11FO5
- Average molar mass
- 182.15 g/mol
- Monoisotopic mass
- 182.05905167
Overview
RN given refers to (alpha-D)-isomer
Names & identifiers
- Preferred name
- Glucosyl fluoride
- IUPAC
- (3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- glucosyl fluoride
- Molecular formula
- C6H11FO5
- Molecular weight
- 182.15
Names & synonyms
Glucosyl fluorideRefChem:922293beta-d-glucopyranosyl fluoride2106-10-7alpha-D-glucopyranosyl fluorideD-Glucopyranosyl fluoride(3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triolHexopyranosyl fluorideSCHEMBL460214SCHEMBL18739932DTXSID30943370ATMYEINZLWEOQU-GASJEMHNSA-N
Show more names
α-D-glucopyranosyl fluorideα-D-Fluoro-glucanogenide1-deoxy-1-fluoro-α-D-glucose1-FLUORO-1-DEOXY-A-D-GLUCOSE1-Fluoro-1-deoxy-α-D-glucose1-fluoro-1-deoxy-alpha-D-glucose2-Trifluroacetamido-3,4,6-tri-O-acetyl-2-deoxy-ß2-Trifluroacetamido-3,4,6-tri-O-acetyl-2-deoxy-&alpha
(3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol447-27-8
Database identifiers
- CAS
2106-10-7
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 190 · 190-200 °C (decomp)
- Boiling point
- 371.3 · 371.3±42.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 12.4 · 12.40±0.70(Predicted)
- InChI
- InChI=1/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/s3
- InChIKey
- ATMYEINZLWEOQU-GYGAHFJDNA-N
- SMILES
- [C@H]1(CO)O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)F |&1:0,4,5,7,9,r|
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H311-H331-H301-H319-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501
- Hazard Codes
- T
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-26-36/37/39-45
- Hazard statements
- H335-H311-H331-H301-H319-H315
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Applications
UsesAlpha-D-glucopyranosyl fluoride
Upstream & downstream products
Downstream products
Suppliers48 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Aladdin Scientific[email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
1 records
Compound notes
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