(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol

C11H13N5O4S — CID 168894612

IUPAC(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
SMILESCSc1nc(N)c2ncn([C@@H]3OC(CO)=C(O)C3O)c2n1
InChIInChI=1S/C11H13N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3,7,10,17-19H,2H2,1H3,(H2,12,14,15)/t7?,10-/m1/s1
InChIKeyWYAOYNPTTVCJLM-OMNKOJBGSA-N
MW311.32 g/mol
LogP-0.22
Rot. Bonds3

About (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol

(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol (PubChem CID 168894612) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol.

Molecular Properties

Compound Name(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
PubChem CID168894612
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
SMILESCSc1nc(N)c2ncn([C@@H]3OC(CO)=C(O)C3O)c2n1
InChIInChI=1S/C11H13N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3,7,10,17-19H,2H2,1H3,(H2,12,14,15)/t7?,10-/m1/s1
InChIKeyWYAOYNPTTVCJLM-OMNKOJBGSA-N
XLogP-0.22
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S,3S,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90673513
(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol
CID 163546638
(1R,2R,3S,6S,7R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-6-(hydroxymethyl)tricyclo[3.2.0.03,6]heptane-1,7-diol
CID 166106685
[(2R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 87077103
[[(2R,3S,4S,5S)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
CID 6604891
[[(2R,3R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 11957467
[[(2R,3R,4S,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 93472674
[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 5310983
4-(6-amino-2-methylsulfanylpurin-9-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hex-3-ene-2,3-diol
CID 175623500
(2R)-2-[6-[(4-bromophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
CID 154012831
3-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-6,7-dihydroxy-6-phenyl-5,7-dihydroimidazo[1,2-a]purin-9-one
CID 155727061
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid
CID 46228891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The IUPAC name of (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol (CID 168894612) is (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol.
What is the SMILES notation for (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The canonical SMILES for (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol is CSc1nc(N)c2ncn([C@@H]3OC(CO)=C(O)C3O)c2n1.
What is the InChIKey of (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The InChIKey is WYAOYNPTTVCJLM-OMNKOJBGSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3,7,10,17-19H,2H2,1H3,(H2,12,14,15)/t7?,10-/m1/s1.
What are the key properties of (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol has a molecular weight of 311.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol is sourced from PubChem (CID 168894612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).