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Phosphoramidon | SBID = 1256 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 211.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -0.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 11.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 7.0
3D Volume/Å3: 398.2
Sum Formula: C23H34N3O10P
M / g/mol: 543.5
Complexity: 848.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: Phosphoramidon
  • Preferred Abbreviation: Phosphoramidon
  • IUPAC Name: (2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
  • CAS: 36357-77-4
  • CID: 445114
  • InChiKey: ZPHBZEQOLSRPAK-XLCYBJAPSA-N
  • InChi: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
  • CanoSmiles: CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O
  • IsoSmiles: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O