Cas no 322640-23-3 (Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester)

Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester structure
322640-23-3 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester
CAS No:322640-23-3
MF:C17H27N5O16P2
MW:619.367706537247
CID:4745394
Update Time:2024-03-01

Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester
    • ADP-L-glycero-β-D-manno-heptopyranose
    • ADP-D-glycero-D-manno-heptose
    • ADP-L-glycero-beta-D-manno-heptopyranose
    • ADP-D-glycero-beta-D-manno-heptose
    • ADP-L-glycero-D-manno-heptose
    • Inchi: 1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)
    • InChI Key: KMSFWBYFWSKGGR-UHFFFAOYSA-N
    • SMILES: OC1C(O)C(O)C(C(CO)O)OC1OP(O)(OP(O)(OCC1C(O)C(O)C(N2C=NC3C2=NC=NC=3N)O1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 40
  • XLogP3: -7.034

Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester Production Method

Production Method 1

Reaction Conditions
1.1R:DMSO, R:Cl(O=)CC(=O)Cl
1.2R:Et3N
1.3R:MeMgBr
1.4R:F3CCO2H
1.5R:H2, C:Pd
1.6R:H2SO4, S:Ac2O
1.7R:Me2NH
1.8R:1,2,4-Triazole, S:67746-43-4
1.9R:H2O2
1.10R:H2, C:Pd
1.11R:H2CO3-Et3N (1:1), R:Et3N, S:MeOH
1.12C:408364-44-3, C:9024-82-2
Reference
The Mechanism of the Reaction Catalyzed by ADP-β-L-glycero-D-manno-heptose 6-Epimerase
By Read, Jay A. et al, Journal of the American Chemical Society, 2004, 126(29), 8878-8879

Production Method 2

Reaction Conditions
1.1C:85030-75-7, S:H2O, S:D2O, 23°C, pH 7.0
Reference
A Two-Base Mechanism for Escherichia coli ADP-L-glycero-D-manno-Heptose 6-Epimerase
By Morrison, James P. and Tanner, Martin E., Biochemistry, 2007, 46(12), 3916-3924

Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester Raw materials

Adenosine 5'-(trihydrogen diphosphate), P'-L-glycero-β-D-manno-heptopyranosyl ester Preparation Products

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