CAS
98694-54-3 Purity
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98694-54-3 Purity
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6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
CAS
98695-80-8
Catalog Number
ACM98695808
Category
Other Products
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What is the chemical formula of 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)?
The chemical formula is C9H14N6O4.
When was this chemical created and last modified according to PubChem?
It was created on January 15, 2019, and last modified on December 30, 2023.
What is the molecular weight of 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)?
The molecular weight is 270.25 g/mol.
What is the IUPAC name of 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)?
The IUPAC name is 2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one.
What is the InChI of this compound?
The InChI is InChI=1S/C9H14N6O4/c10-8-13-6-5(7(18)14-8)12-9(11)15(6)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H2,11,12)(H3,10,13,14,18).
What is the InChIKey of 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)?
The InChIKey is SYAUXCCCMBAREC-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in this compound?
There are 5 hydrogen bond donor counts.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is -2.9.
How many hydrogen bond acceptor counts are there in 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)?
There are 7 hydrogen bond acceptor counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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