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

CAS: 65085-09-8

Molecular Formula	`C21H28N7O14P2+`
Molecular Weight	664.4 g/mol
LogP	-5.9
Topological Polar Surface Area	318.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	18
Rotatable Bonds	11
Exact Mass	664.11694
Heavy Atoms	44
Complexity	1130.0

Chemical Identifiers

CAS Number	65085-09-8
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-UHFFFAOYSA-O`

📖 Product Overview

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (CAS: 65085-09-8) is a chemical compound with molecular formula C21H28N7O14P2+ and molecular weight 664.4 g/mol. Its IUPAC systematic name is [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate. LogP -5.9 Topological Polar Surface Area 318.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 18 Rotatable Bonds 11 Exact Mass 664.11694 Heavy Atoms 44 Complexity 1130.0 InChI Key: BAWFJGJZGIEFAR-UHFFFAOYSA-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)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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Frequently Asked Questions

What is the typical lead time for this product?

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.

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