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UK 2A structure
UK 2A structure

UK 2A

Iupac Name:[(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
CAS No.: 167173-85-5
Molecular Weight:514.531
Modify Date.: 2022-02-11 19:01
1. Names and Identifiers
1.1 Name
UK 2A
1.2 Synonyms

(+)-UK-2A (3S,6S,7R,8R)-3-[[(3-Hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl 2-methylpropanoate (3S,6S,7R,8R)-8-benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-di-oxonan-7-yl isobutyrate (3S,6S,7R,8R)-8-benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate Antibiotic UK 2A Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester Propanoic acid, 2-methyl-, (3S,6S,7R,8R)-3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester Propanoic acid, 2-methyl-, 3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester, [3S-(3R*,6R*,7S*,8S*)]- UK 2A UK-2A

1.3 CAS No.
167173-85-5
1.4 CID
468590
1.5 Molecular Formula
C26H30N2O9 (isomer)
1.6 Inchi
InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
1.7 InChkey
MLGCATYQZVMGBG-PBWVOLNLSA-N
1.8 Canonical Smiles
CC1C(C(C(=O)OCC(C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C
1.9 Isomers Smiles
C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C
2. Properties
3.1 Density
1.33±0.1 g/cm3 (20 oC 760 Torr),
3.1 Solubility
Very 微溶 (0.29 g/L) (25 oC),
3. Use and Manufacturing
4.1 Definition
ChEBI: A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of <ital Streptomyces sp. 517-02 and exhibits potent antifungal activity. UK 2ASupplier
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Other Information
5.0 Definition
ChEBI: A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of
6. Computational chemical data
  • Molecular Weight: 514.531g/mol
  • Molecular Formula: C26H30N2O9
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.6
  • Exact Mass: 514.19513054
  • Monoisotopic Mass: 514.19513054
  • Complexity: 814
  • Rotatable Bond Count: 8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Topological Polar Surface Area: 150
  • Heavy Atom Count: 37
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
7. Recommended Suppliers
Global3SuppliersView all >>
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UK-2A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
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UK-2A
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire