Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, hydrogen (1:2), (T-4)-

CAS Registry Number®

872689-63-9
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CAS Name

Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, hydrogen (1:2), (T-4)-

Molecular Formula

C10H10MoN5O8PS2.2H

Cite this Page

Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, hydrogen (1:2), (T-4)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872689-63-9 (retrieved 2024-04-18) (CAS RN: 872689-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2

InChIKey

InChIKey=HDAJUGGARUFROU-UHFFFAOYSA-L

SMILES

C(OP(=O)([O-])[O-])C1C2=C(C3C(O1)NC4=C(N3)C(=O)N=C(N)N4)[S-][Mo+2](=O)(=O)[S-]2.[H+]

Canonical SMILES

[H+].O=C1N=C(N)NC=2NC3OC(C=4[S-][Mo+2](=O)(=O)[S-]C4C3NC12)COP(=O)([O-])[O-]

Other Names for this Substance

  • Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, hydrogen (1:2), (T-4)-
  • Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, dihydrogen, (T-4)-
  • Molybdenum cofactor

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