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Heterocyclic compounds

Molybdenum cofactor

Also known as MOAA protein, molybdenum(2+) ion ((4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano(3,2-g)pteridin-8-yl)methoxy)phosphonic acid dihydrate, molybdenum(2+) ion ({4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)phosphonic acid dihydrate

CAS 872689-63-9Formula C10H12MoN5O8PS2Molar mass 521.28 g/mol
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Molybdenum cofactor chemical structure, C10H12MoN5O8PS2, CAS 872689-63-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
872689-63-9
Formula
C10H12MoN5O8PS2
Molar mass
521.28 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Molybdenum cofactor?

Plain description, key identifiers and synonyms

Mo(VI)O2(OH)-molybdopterin cofactor is an Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2(OH). It is a conjugate acid of a Mo(VI)O2(OH)-molybdopterin cofactor(4-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5aR,8R,9aR)-2-amino-4-oxo-8-(phosphonooxymethyl)-3,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate, dioxomolybdenum(2+)
CAS number
872689-63-9Other or deprecated CAS: 104676-61-1, 73508-07-3
Molecular formula
C10H12MoN5O8PS2
UNII
EPP8L4V5E3
InChIKey
HDAJUGGARUFROU-JSUDGWJLSA-L
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/t2-,3+,9-;;;/m1.../s1
Canonical SMILES
Nc1nc2c(c(=O)[nH]1)NC1C([S-])=C([S-])C(COP(=O)(O)O)OC1N2.[O]=[Mo+2]=[O]
Isomeric SMILES
C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)[S-])[S-])OP(=O)(O)O.O=[Mo+2]=O

Synonyms

  • MOAA protein
  • molybdenum(2+) ion ((4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano(3,2-g)pteridin-8-yl)methoxy)phosphonic acid dihydrate
  • molybdenum(2+) ion ({4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)phosphonic acid dihydrate
  • Molybdopterin cofactor
  • Molybdoenzyme molybdenum cofactor
  • moco (dioxyo)
  • molybdenum cofactor (dioxyo)
  • MoO2(OH)Dtpp-mP
  • MoO2-molybdopterin cofactor
  • {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdenum

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
521.28 g/molcalc.
Exact mass
522.8919 Dacalc.
LogP (octanol/water)
-1.54calc.
Topological polar surface area
206 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
2calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1[nH]cnc2c1NC1C=CCOC1N2

O=c1[nH]cnc2c1NC1C=CCOC1N2

3 rings, 15 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Molybdenum cofactor suppliers

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Molybdenum cofactor price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Molybdenum cofactor is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Molybdenum cofactor is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Molybdenum cofactor, based on the data on this page

What is Molybdenum cofactor?

Mo(VI)O2(OH)-molybdopterin cofactor is an Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2(OH). It is a conjugate acid of a Mo(VI)O2(OH)-molybdopterin cofactor(4-).

What is the CAS number of Molybdenum cofactor?

The CAS registry number of Molybdenum cofactor is 872689-63-9. Other or deprecated CAS numbers: 104676-61-1, 73508-07-3.

What is the molecular formula and weight of Molybdenum cofactor?

The molecular formula of Molybdenum cofactor is C10H12MoN5O8PS2 and its molar mass is 521.28 g/mol.

Is Molybdenum cofactor hazardous?

No GHS hazard classification for Molybdenum cofactor is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Molybdenum cofactor?

Molybdenum cofactor is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Molybdenum cofactor?

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What is the price of Molybdenum cofactor?

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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