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NADH

Molecular FormulaC₂₁H₂₉N₇O₁₄P₂
Average mass665.441 Da
Monoisotopic mass665.124756 Da
ChemSpider ID388299

- 8 of 8 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(3-carbamoyl-1(4H)-pyridinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

200-393-0 [EINECS]

4J24DQ0916

58-68-4 [RN]

DPNH

NADH [Wiki]

nicotinamide adenine dinucleotide (reduced)

Reduced nicotinamide adenine dinucleotide

Reduced nicotinamide adenine diphosphate

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphin

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[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid[[(2R,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid

1,4,5,6-Tetrahydronicotinamide adenine dinucleotide

1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

1,4-dihydronicotinamide adenine dinucleotide; DPNH; NAD reduced form; Nicotinamide adenine dinucleotide (reduced); Nicotinamide-adenine dinucleotide, reduced; Reduced nicotinamide adenine diphosphate; Reduced nicotinamide-adenine dinucleotide

1,4-dihydronicotinamide adenine dinucleotide; DPNH; nicotinamide adenine dinucleotide (reduced)

79324 [Beilstein]

Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide (9CI)

Adenosine 5'-(trihydrogen pyrophosphate), 5'->5'-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide (8CI)

Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with 1,4-dihydro-1β-D-ribofuranosylnicotinamide

adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}

Adenosine pyrophosphate, 5'->5'-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide (7CI)

b-DPNH

b-NADH

Dihydrocodehydrogenase I

Dihydrocozymase

dihydronicotinamide adenine dinucleotide

Dihydronicotinamide mononucleotide

dihydronicotinamide-adenine dinucleotide

ENADA

ic acid

NAd

NAD reduced form

NADH2

NAJ

NICOTINAMIDE-ADENINE-DINUCLEOTIDE

NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)

Reduced codehydrogenase I

Reduced diphosphopyridine nucleotide

Reduced nicotinamide-adenine dinucleotide

TXD

UNII:4J24DQ0916

UNII-4J24DQ0916

α-Nicotinamideadeninedinucleotide

β-DPNH

β-NADH

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:16908 [DBID]

bmse000054 [DBID]

C00004 [DBID]

NChemBio.2007.9-comp15 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  141 °C Jean-Claude Bradley Open Melting Point Dataset 16261

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	2.2±0.1 g/cm³
Boiling Point:	1081.8±75.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	166.2±3.0 kJ/mol
Flash Point:	608.0±37.1 °C
Index of Refraction:	1.845
Molar Refractivity:	135.8±0.5 cm³
#H bond acceptors:	21
#H bond donors:	10
#Freely Rotating Bonds:	11
#Rule of 5 Violations:	3

ACD/LogP:	-4.35
ACD/LogD (pH 5.5):	-9.10
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-9.17
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	337 Å²
Polarizability:	53.8±0.5 10^-24cm³
Surface Tension:	126.9±7.0 dyne/cm
Molar Volume:	305.2±7.0 cm³

Click to predict properties on the Chemicalize site

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NADH

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