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UDP-ALPHA-D-N-ACETYLGLUCOSAMINE, DISODIUM SALT structure
UDP-ALPHA-D-N-ACETYLGLUCOSAMINE, DISODIUM SALT structure

UDP-ALPHA-D-N-ACETYLGLUCOSAMINE, DISODIUM SALT

Iupac Name:disodium;[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
CAS No.: 91183-98-1
Molecular Weight:651.32
Modify Date.: 2022-11-29 06:28
Introduction: Uridine-5'-diphospho-N-acetylglucosamine sodium salt is used as a chemical reagent in studies relating to the synthesis of immunogens. View more+
1. Names and Identifiers
1.1 Name
UDP-ALPHA-D-N-ACETYLGLUCOSAMINE, DISODIUM SALT
1.2 Synonyms

UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG Uridine 5′-(trihydrogen diphosphate), P′-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl] ester, disodium salt Uridine 5′-(trihydrogen diphosphate), P′-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl] ester, sodium salt (1:2) Uridine5'-(trihydrogen diphosphate), P'-[2-(acetylamino)-2-deoxy-a-D-glucopyranosyl] ester,disodium salt (9CI)

1.3 CAS No.
91183-98-1
1.4 CID
16069658
1.5 EINECS(EC#)
293-820-5
1.6 Molecular Formula
C17H25N3Na2O17P2 (isomer)
1.7 Inchi
InChI=1S/C17H27N3O17P2.2Na/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28;;/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28);;/q;2*+1/p-2/t7-,8-,10-,11-,12-,13-,14-,15-,16-;;/m1../s1
1.8 InChkey
HXWKMJZFIJNGES-YZVFIFBQSA-L
1.9 Canonical Smiles
CC(=O)NC1C(C(C(OC1OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O.[Na+].[Na+]
1.10 Isomers Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O.[Na+].[Na+]
2. Properties
2.1 Precise Quality
651.04500
2.1 PSA
331.14000
2.1 logP
-3.38260
2.1 Appearance
Solid
2.2 Chemical Properties
White to off-white crystalline powder
2.3 Water Solubility
CLEAR TO SLIGHTLY HAZY COLORLESS SOLUTION AT 200MG PLUS 4ML OF WATER
2.4 StorageTemp
−20°C
3. Use and Manufacturing
3.1 Usage
Uridine-5'-diphospho-N-acetylglucosamine sodium salt is used as a chemical reagent in studies relating to the synthesis of immunogens.
4. Safety and Handling
4.1 Symbol
GHS07;
4.1 Hazard Codes
Xi
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
22-26-36
4.1 Hazard Declaration
H315; H319; H335
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261; P305 + P351 + P338
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum
8. Precursor and Product
9. Computational chemical data
  • Molecular Weight: 651.32g/mol
  • Molecular Formula: C17H25N3Na2O17P2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 651.04545890
  • Monoisotopic Mass: 651.04545890
  • Complexity: 1060
  • Rotatable Bond Count: 10
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 17
  • Topological Polar Surface Area: 306
  • Heavy Atom Count: 41
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 3
  • CACTVS Substructure Key Fingerprint: AAADceB7PjMAAAAAAAAAAAAAAAAAASAAAAAkQAAAAAAAAAAAAAAAHgAQCCAACDzxgAcDCAPABxCIQCFWUICAAAAAAgAIAIAIAECTEAIAgAAPQAAPFyKXAMHwcAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Recommended Suppliers
Global15SuppliersView all >>
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Uridine 5'-diphospho-N-acetyl-*glucosamine sodium
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/04/01
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  • Purity:99%Packing: 200kg/bag FOB
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UDP-α-D-N-ACETYLGLUCOSAMINE, DISODIUM SALT
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UDP-GlcNAc
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11. Realated Product Infomation