Cas no 24543-64-4 (4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-)

4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)- structure
24543-64-4 structure
Product Name:4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-
CAS No:24543-64-4
MF:C55H106N20O14
MW:1271.5557513237
CID:291354
Update Time:2024-03-01

4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)- Chemical and Physical Properties

Names and Identifiers

    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)- (9CI)
    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaam
    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[(3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl)amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,[3aS-[2(3R*,10R*,17R*,24R*,31R*,38R*,45R*),3aa,7a,7ab]]-
    • Streptothricin X (8CI)
    • Streptothricin X
    • CID 101967100
    • 4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-
    • Inchi： 1S/C55H106N20O14/c56-15-1-8-31(57)22-40(78)65-16-2-9-32(58)23-41(79)66-17-3-10-33(59)24-42(80)67-18-4-11-34(60)25-43(81)68-19-5-12-35(61)26-44(82)69-20-6-13-36(62)27-45(83)70-21-7-14-37(63)28-46(84)72-49-50(85)51(89-54(64)87)39(30-76)88-53(49)75-55-73-47-38(77)29-71-52(86)48(47)74-55/h31-39,47-51,53,76-77,85H,1-30,56-63H2,(H2,64,87)(H,65,78)(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,70,83)(H,71,86)(H,72,84)(H2,73,74,75)/t31?,32?,33?,34?,35?,36?,37?,38?,39-,47?,48?,49-,50-,51-,53-/m1/s1
    • InChI Key： OFNVPHUSCATNMB-KBFVWTMWSA-N
    • SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1NC1=NC2C(NCC(C2N1)O)=O)NC(CC(CCCNC(CC(CCCNC(CC(CCCNC(CC(CCCNC(CC(CCCNC(CC(CCCNC(CC(CCCN)N)=O)N)=O)N)=O)N)=O)N)=O)N)=O)N)=O)O)OC(N)=O

Computed Properties

  • Exact Mass: 1270.82
  • Monoisotopic Mass: 1270.82
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 22
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 89
  • Rotatable Bond Count: 47
  • Complexity: 2230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 600

Experimental Properties

  • Density: 1.53±0.1 g/cm3(Predicted)
  • pka: 12.62±0.70(Predicted)

4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)- Related Literature

Related Categories

24543-64-4 (4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S,10S,17S,24S,31S,38S,45S)-3,10,17,24,31,38,45,48-octaamino-1,8,15,22,29,36,43-heptaoxo-7,14,21,28,35,42-hexaazaoctatetracont-1-yl]amino]-β-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-) Related Products

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