ε-NAD+

CAT: 1106-BLG-N010-10Size: 10 μmoLDry Ice: YesHazardous: No

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CAT#:1106-BLG-N010-10Size:10 μmoL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

38806-38-1

Product Name Alternative

β-Nicotinamide-1, N6-ethenoadenine dinucleotide . sodium salt

Certification

RUO

Type

Modified nucleotides

Purity

> 95% HPLC

Solubility

Soluble in water (≥60mM) .

Molecular Formula

C 23 H 27 N 7 O 14 P 2 (free acid)

Molecular Weight

687.5 (free acid)

Shipping Conditions

Dry Ice

Storage Conditions

-80°C

Notes

For the Original Manufacturer’s data sheet please click here .

Chemical Information

nicotinamide 1,N(6)-ethenoadenine dinucleotide

structure

CAS Number	38806-38-1
PubChem CID	170119
IUPAC Name	[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
Molecular Formula	C23H27N7O14P2
Molecular Weight	687.4
XLogP	-4.8
Topological Polar Surface Area	299
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	11
Heavy Atom Count	46
Formal Charge	0
Complexity	1200

SMILES

C1=CC(=C[N+](=C1)[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=C4N=CN6C5=NC=C6)O)O)O)O)C(=O)N

InChI

InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1

InChIKey

JCDBQDNBEQHDHK-BSLNIGMPSA-N

Chemical Structure

2D Structure

CAS: 38806-38-1

CID: 170119

Formula: C23H27N7O14P2

MW: 687.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	687.4
XLogP3	-4.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	11
Exact Mass	687.10912256
Monoisotopic Mass	687.10912256
Topological Polar Surface Area	299 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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