Products for Research Use Only
RegisterLogin

Thio-NADH

CAT: 0013-GTR19245375-02Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19245375-02Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Thio-NADH is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
1921-48-8
Field of Research
Metabolism Research
Smiles
O[C@H]1[C@@H] (O[C@@H] ([C@H]1O) COP (OP (OC[C@H]2O[C@@H] (N3C=C (CC=C3) C (N) =S) [C@@H] ([C@@H]2O) O) (O) =O) (O) =O) N4C5=NC=NC (N) =C5N=C4
Molecular Formula
C21H29N7O13P2S
Molecular Weight
681.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

beta-Thionicotinamide adenine dinucleotide, reduced form disodium salt
CAS Number1921-48-8
PubChem CID131637456
IUPAC Namedisodium;[[(3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular FormulaC21H27N7Na2O13P2S
Molecular Weight725.5
Topological Polar Surface Area338
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1220
SMILES
C1C=CN(C=C1C(=S)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+]
InChI
InChI=1S/C21H29N7O13P2S.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,44)(H,33,34)(H,35,36)(H2,22,24,25);;/q;2*+1/p-2/t10-,11?,13-,14-,15-,16-,20-,21-;;/m1../s1
InChIKey
XLEVNBOZUZYSIR-CQQDLCLESA-L
Chemical Structure
2D Structure
2D structure of beta-Thionicotinamide adenine dinucleotide, reduced form disodium salt
CAS: 1921-48-8
CID: 131637456
Formula: C21H27N7Na2O13P2S
MW: 725.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass725.06581767
Monoisotopic Mass725.06581767
Topological Polar Surface Area338 Ų
Heavy Atom Count46
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19234574-01Thio-NADP
GTR19219890-01Thio-NAD
GTR19175938-01Thio-TEPA
GTR19189035Thio-ITP
GTR19287077-01Thio-acridone
GTR19238214-01Thio-Miltefosine
GTR17914294-01ThiO Antibody
GTR19162163-01Thio-TEPA
GTR19155346Propanoic acid, 3-[[[ (phenylmethyl) thio]thioxomethyl]thio]-
GTR19233425-01NADH

Alternative Products

CatalogName
HH3801-04Thio-NADH
N0009-29CNADH Thio, Reduced (Nicotinamide Adenine Dinucleotide), Thio-NADH)
MBS682171-01Thio-Nicotinamide-Adenine Dinucleotide, Reduced (Thio-NADH)
35020-01Thionicotinamide Adenine Dinucleotide Disodium Salt Reduced (Thio-NADH) extrapure, 93%
N8210-01Thio-oxidized Coenzyme I (Thio-NAD+)
AR-M04410-01Hydroxy Methionine Thio-Thio Methyl Impurity
B3742-100Thio-TEPA
HY-171481Thio-acridone
HY-154924Thio-NADP
HY-134939Thio-Miltefosine

Popular Products