RefChem:330790

[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury;1,3-dimethyl-7H-purine-2,6-dione;hydrate

CAS: 8065-39-2

Molecular Formula	`C16H25HgN6O8`
Molecular Weight	630.0 g/mol
Topological Polar Surface Area	175.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	631.14404
Heavy Atoms	31
Complexity	553.0

Chemical Identifiers

CAS Number	8065-39-2
SMILES	`CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg].O`
InChIKey	`HXNBMMFTOHTUEW-UHFFFAOYSA-N`

📖 Product Overview

RefChem:330790 (CAS: 8065-39-2) is a chemical compound with molecular formula C16H25HgN6O8 and molecular weight 630.0 g/mol. Its IUPAC systematic name is [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury;1,3-dimethyl-7H-purine-2,6-dione;hydrate. Topological Polar Surface Area 175.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 631.14404 Heavy Atoms 31 Complexity 553.0 InChI Key: HXNBMMFTOHTUEW-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg].O.

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