N-Boc-D-glucosamine
Basic information
- CAS
75251-80-8- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
CQWFSMWAGKKQJB-VARJHODCSA-N- Molecular formula
- C11H21NO7
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.13180201
Names & identifiers
- Preferred name
- N-Boc-D-glucosamine
- IUPAC
- tert-butyl N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
- English name
- N-(TERT-BUTOXYCARBONYL)-D-GLUCOSAMINE
- Molecular formula
- C11H21NO7
- Molecular weight
- 279.29
Names & synonyms
N-Boc-D-glucosamine75251-80-8tert-butyl N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamateTert-butyl ((3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl)carbamateC11H21NO7N-Boc-D-glucosamine, 97%SCHEMBL18528477DTXSID90553959CQWFSMWAGKKQJB-VARJHODCSA-NMFCD00134540DB-209969CS-0273140
Show more names
N-Boc-D-glucosamine 97%N-(TERT-BUTOXYCARBONYL)-D-GLUCOSAMINEN-(TERT-BUTOXYCARBONYL)-D-GLUCOSAMINE, 9 7%2-Deoxy-2-[[(1,1-dimethylethoxy)carbonyl]amino]-D-glucoseD-Glucose, 2-deoxy-2-[[(1,1-dimethylethoxy)carbonyl]amino]-
10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N.1doi:10.14272/CQWFSMWAGKKQJB-VARJHODCSA-NEN300-19651118F245752doi:10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N.12-[(tert-Butoxycarbonyl)amino]-2-deoxy-D-glucopyranosetert-butyl N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]carbamate
Database identifiers
- CAS
75251-80-8- PubChem CID
- 13998612
- DTXSID
DTXSID90553959- Nikkaji
- J1.803.005E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 194 °C · 194 °C (dec.) (lit.)
- Boiling point
- 550.7 · 550.7±50.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.46(Predicted)
- form
- Powder
- color
- White
- optical activity
- 25 · [α]25/D +64°, c = 1 in methanol
- BRN
- 3555040 · 3555040
- InChI
- 1S/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)/t5-,6-,7-,8-,9/m1/s1
- InChIKey
- CQWFSMWAGKKQJB-VARJHODCSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-Boc-D-glucosamine, can be used in synthesis of chemical compounds, such as novel glycosaminoglycan precursors as anti-amyloid agents.
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Related reactions
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Compound notes
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