Cas no 79484-89-2 (D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]-)

D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]- structure
79484-89-2 structure
Product Name:D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]-
CAS No:79484-89-2
MF:C30H41N6O16P
MW:772.65090918541
CID:568219
PubChem ID:135546947
Update Time:2025-04-19

D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]-
    • methanopterin
    • Q27117220
    • 1-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol
    • SCHEMBL989204
    • Pentitol, 1-(4-((1-(2-amino-1,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-
    • DTXSID90229708
    • 79484-89-2
    • CHEBI:37660
    • Inchi： 1S/C30H41N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H3,31,33,35,36,44)/t12-,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1
    • InChI Key： ZHAHWVAVMXKKOA-NKRFXTRVSA-N
    • SMILES： P(=O)(O)(O[C@H](C(=O)O)CCC(=O)O)OC[C@@H]1[C@H]([C@H]([C@@H](OC[C@H]([C@H]([C@H](CC2C=CC(=CC=2)N[C@H](C)C2C(C)=NC3=C(C(NC(N)=N3)=O)N=2)O)O)O)O1)O)O

Computed Properties

  • Exact Mass: 772.231666
  • Monoisotopic Mass: 772.231666
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 19
  • Complexity: 1340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 355
  • XLogP3: -3.9

Experimental Properties

  • Density: 1.78
  • Boiling Point: 1159.6°C at 760 mmHg
  • Flash Point: 655.1°C
  • Refractive Index: 1.716
  • PSA: 369.36000
  • LogP: -1.02890

D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]- Related Literature

Related Categories

79484-89-2 (D-Ribitol,1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-a-D-ribofuranosyl]-) Related Products

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