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Technology Process of N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide

N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide

Base Information
  • Chemical Name:N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
  • CAS No.:87099-85-2
  • Molecular Formula:C30H51N7O7
  • Molecular Weight:621.7686
  • Hs Code.:
  • DSSTox Substance ID:DTXSID101318421
  • Metabolomics Workbench ID:114884
  • Nikkaji Number:J342.394H
  • Wikipedia:Spicamycin
  • Mol file:87099-85-2.mol
N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide

Synonyms:2'-epi-septacidin;LIA-0101;LIA-0101 B;septacidin;spicamycin

Suppliers and Price of N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
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Chemical Property of N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Boiling Point:979.6°Cat760mmHg 
  • Flash Point:546.2°C 
  • PSA：214.84000 
  • Density:1.28g/cm3 
  • LogP:2.35770 
  • XLogP3:4.1
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:20
  • Exact Mass:621.38499699
  • Heavy Atom Count:44
  • Complexity:842
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MSDS Files:
Useful:
  • Canonical SMILES:CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O
  • Isomeric SMILES:CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O
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