Codehydrase II

[[(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 hydrogen phosphate

CAS: 12751-04-1

Molecular Formula	`C21H29N7O17P3+`
Molecular Weight	744.4 g/mol
LogP	-7.0
Topological Polar Surface Area	365.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	21
Rotatable Bonds	13
Exact Mass	744.08325
Heavy Atoms	48
Complexity	1300.0

Chemical Identifiers

CAS Number	12751-04-1
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)OP(=O)(O)O)O)O)O)C(=O)N`
InChIKey	`XJLXINKUBYWONI-NNYOXOHSSA-O`

📖 Product Overview

Codehydrase II (CAS: 12751-04-1) is a chemical compound with molecular formula C21H29N7O17P3+ and molecular weight 744.4 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-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate. LogP -7.0 Topological Polar Surface Area 365.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 21 Rotatable Bonds 13 Exact Mass 744.08325 Heavy Atoms 48 Complexity 1300.0 InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-O. 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)OP(=O)(O)O)O)O)O)C(=O)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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