magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride

C10H15MgN5O3 — CID 174820086

IUPACmagnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H13N5O3.Mg.2H/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;;;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);;;/q;+2;2*-1/t5-,6+,10+;;;/m0.../s1
InChIKeyBIMDCCXMGLNYIK-NPVJFQHYSA-N
MW277.57 g/mol
LogP-1.11
Rot. Bonds2

About magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride

magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride (PubChem CID 174820086) has the molecular formula C10H15MgN5O3 and a molecular weight of 277.57 g/mol. Its IUPAC name is magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride.

Molecular Properties

Compound Namemagnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
PubChem CID174820086
Molecular FormulaC10H15MgN5O3
Molecular Weight277.57 g/mol
Exact Mass277.10
IUPAC Namemagnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H13N5O3.Mg.2H/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;;;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);;;/q;+2;2*-1/t5-,6+,10+;;;/m0.../s1
InChIKeyBIMDCCXMGLNYIK-NPVJFQHYSA-N
XLogP-1.11
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;diphosphono hydrogen phosphate
CID 174741919
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
2-(6-aminopurin-9-yl)-5-(phosphorosomethoxymethyl)oxolan-3-ol
CID 175453370
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
CID 155062621
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004

Frequently Asked Questions

What is the IUPAC name of magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride?
The IUPAC name of magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride (CID 174820086) is magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride.
What is the SMILES notation for magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride?
The canonical SMILES for magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride?
The InChIKey is BIMDCCXMGLNYIK-NPVJFQHYSA-N. The full InChI is InChI=1S/C10H13N5O3.Mg.2H/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;;;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);;;/q;+2;2*-1/t5-,6+,10+;;;/m0.../s1.
What are the key properties of magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride?
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride has a molecular weight of 277.57 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride is sourced from PubChem (CID 174820086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).