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NADP

CAT: 0013-GTR19154080-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19154080-03Size:1 g
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Description
NADP
CAS Number
53-59-8
Purity
>98%
Smiles
O=C (N) C (CC=C1) =C[N@@+]1[C@H] (O2) [C@H] (O) [C@H] (O) [C@H]2COP (OP (OC[C@@H] (O3) [C@@H] (O) [C@@H] (OP (O) (O) =O) [C@@H]3N4C5=NC=NC (N) =C5N=C4) (O) =O) ([O-]) =O
Molecular Formula
C21H29N7O17P3
Molecular Weight
744.41
Notes
For research use only.

Chemical Information

Nadp

NADP zwitterion is a NADP. It has a role as a fundamental metabolite. It is a conjugate base of a NADP(+).

CAS Number53-59-8
PubChem CID5885
IUPAC Name[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular FormulaC21H28N7O17P3
Molecular Weight743.4
XLogP-7.1
Topological Polar Surface Area368
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Heavy Atom Count48
Formal Charge0
Complexity1290
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=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N
InChI
InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
Chemical Structure
2D Structure
2D structure of Nadp
CAS: 53-59-8
CID: 5885
Formula: C21H28N7O17P3
MW: 743.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight743.4
XLogP3-7.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Exact Mass743.07545344
Monoisotopic Mass743.07545344
Topological Polar Surface Area368 Ų
Heavy Atom Count48
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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