D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate]

CAS Registry Number®

59111-78-3

CAS Name

D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate]

Molecular Formula

C22H36N6O16P2

Molecular Mass

702.50

Cite this Page

D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59111-78-3 (retrieved 2024-11-23) (CAS RN: 59111-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)/t9-,10-,11+,13+,14+,15-,16+,17-,21+,22?/m0/s1

InChIKey

InChIKey=FIMRCGIHIAIVOL-HQSJGFGRSA-N

SMILES

O[C@@H]1[C@H](N2C=3C(N=C2)=C(NP(OC4O[C@@]([C@@H](CO)O)([C@H](O)[C@H]4O)[H])(=O)O)N=CN3)O[C@H](COP(NC([C@H]([C@@H](C(C)C)O)O)=O)(=O)O)C1

Canonical SMILES

O=C(NP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)NP(=O)(O)OC4OC(C(O)CO)C(O)C4O)C(O)C1)C(O)C(O)C(C)C

Other Names for this Substance

  • D-Glucofuranose, 1-[hydrogen [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate]
  • Agrocin 84
  • Mono-D-glucofuranosyl [9-[3-deoxy-5-O-[[(4,5-dideoxy-4-methyl-D-threo-pentonoyl)amino]hydroxyphosphinyl]-β-D-threo-pentofuranosyl]-9H-purin-6-yl]phosphoramidate

CAS INSIGHTSTM
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