Nadh(2-)
Also known as NADH dianion, nicotinamide adenine dinucleotide reduced, NAD-reduced
Key facts
What buyers check first
- Formula
- C21H27N7O14P2-2
- Molar mass
- 663.43 g/mol
- HS code
- 293499
- Category
- Nucleosides and nucleotides
What is Nadh(2-)?
Plain description, key identifiers and synonyms
NADH(2-) is dianion of NADH arising from deprotonation of the two diphosphate OH groups, major species at pH 7.3. It has a role as a cofactor, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a hydrogen donor and a nucleotide-sugar oxoanion. It is a conjugate base of a NADH.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
- Molecular formula
- C21H27N7O14P2-2
- INCI name
- DISODIUM NADH
- InChIKey
- BOPGDPNILDQYTO-NNYOXOHSSA-L
- InChI
- InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
- Canonical SMILES
- NC(=O)C1=CN(C2OC(COP(=O)([O-])OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1
- Isomeric SMILES
- C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
Synonyms
- NADH dianion
- nicotinamide adenine dinucleotide reduced
- NAD-reduced
- 2fsv
- NADH+H+
- dihydrodiphosphopyridine nucleotide
- diphosphopyridine nucleotide reduced
- Nicotinamide adenine dinucleotide, reduced form
- [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] diphosphate}
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 | 663.43 g/molcalc.Computed value |
|---|---|
| Exact mass | 663.1102 Dacalc.Computed value |
| LogP (octanol/water) | -3.95calc.Computed value |
| Topological polar surface area | 323.3 Ųcalc.Computed value |
| Hydrogen bond donors | 6calc.Computed value |
| Hydrogen bond acceptors | 19calc.Computed value |
| Rotatable bonds | 11calc.Computed value |
| Heavy atoms | 44calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.52calc.Computed value |
| Formal charge | -2calc.Computed value |
| Stereocentres | 10calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=[PH](OCC1CCC(N2C=CCC=C2)O1)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1
5 rings, 34 atoms.
36 other chemicals share this scaffoldSafety 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.
Nadh(2-) suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Nadh(2-) can send you quotes. Your contact details stay private until you accept a quote.
Nadh(2-) price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name DISODIUM NADH(skin conditioning - emollient, skin conditioning)
Roles
- Saccharomyces cerevisiae metabolite
- animal metabolite
- cofactor
- eukaryotic metabolite
- fungal metabolite
- human metabolite
- mammalian metabolite
- metabolite
Cosmetic functions
- Skin conditioning
- Skin conditioning - emollient
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Nadh(2-) is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Nadh(2-) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Nadh(2-), based on the data on this page
What is Nadh(2-)?
What is the molecular formula and weight of Nadh(2-)?
What is Nadh(2-) used for?
Is Nadh(2-) hazardous?
What is the HS code of Nadh(2-)?
Where can I buy Nadh(2-)?
What is the price of Nadh(2-)?
Guides for buyers
Practical guides that help when you source, ship or handle Nadh(2-)
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
Get quotes for Nadh(2-)
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Nadh(2-) with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/nadh-2-cid-21604869" title="Nadh(2-) structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Nucleosides and nucleotides or HS code 293499