nadide

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

CAS: 53-84-9

Molecular Formula	`C21H27N7O14P2`
Molecular Weight	663.4 g/mol
LogP	-6.0
Topological Polar Surface Area	321.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	18
Rotatable Bonds	11
Exact Mass	663.10913
Heavy Atoms	44
Complexity	1120.0

Chemical Identifiers

CAS Number	53-84-9
SMILES	`C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N`
InChIKey	`BAWFJGJZGIEFAR-NNYOXOHSSA-N`

📖 Product Overview

nadide (CAS: 53-84-9) is a chemical compound with molecular formula C21H27N7O14P2 and molecular weight 663.4 g/mol. Its IUPAC systematic name is [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. LogP -6.0 Topological Polar Surface Area 321.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 18 Rotatable Bonds 11 Exact Mass 663.10913 Heavy Atoms 44 Complexity 1120.0 InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-N. SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.

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