Compound C21H30N7O17P3

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

CAS: 53-57-6

Molecular Formula	`C21H30N7O17P3`
Molecular Weight	745.4 g/mol
LogP	-6.8
Topological Polar Surface Area	364.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	22
Rotatable Bonds	13
Exact Mass	745.0911
Heavy Atoms	48
Complexity	1410.0

Chemical Identifiers

CAS Number	53-57-6
SMILES	`C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O`
InChIKey	`ACFIXJIJDZMPPO-NNYOXOHSSA-N`

📖 Product Overview

Compound C21H30N7O17P3 (CAS: 53-57-6) is a chemical compound with molecular formula C21H30N7O17P3 and molecular weight 745.4 g/mol. Its IUPAC systematic name is [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate. LogP -6.8 Topological Polar Surface Area 364.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 22 Rotatable Bonds 13 Exact Mass 745.0911 Heavy Atoms 48 Complexity 1410.0 InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N. SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O.

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