(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid

C10H13N5O4S — CID 160816637

IUPAC(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid
SMILESCSc1nc(N)c2ncn(C[C@@H](O)[C@@H](O)C(=O)O)c2n1
InChIInChI=1S/C10H13N5O4S/c1-20-10-13-7(11)5-8(14-10)15(3-12-5)2-4(16)6(17)9(18)19/h3-4,6,16-17H,2H2,1H3,(H,18,19)(H2,11,13,14)/t4-,6-/m1/s1
InChIKeySEZIUTHZDBJOBF-INEUFUBQSA-N
MW299.31 g/mol
LogP-1.06
Rot. Bonds5

About (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid

(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid (PubChem CID 160816637) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid
PubChem CID160816637
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid
SMILESCSc1nc(N)c2ncn(C[C@@H](O)[C@@H](O)C(=O)O)c2n1
InChIInChI=1S/C10H13N5O4S/c1-20-10-13-7(11)5-8(14-10)15(3-12-5)2-4(16)6(17)9(18)19/h3-4,6,16-17H,2H2,1H3,(H,18,19)(H2,11,13,14)/t4-,6-/m1/s1
InChIKeySEZIUTHZDBJOBF-INEUFUBQSA-N
XLogP-1.06
TPSA147.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid with MolForge

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Related Compounds

3-(6-amino-2-methylsulfanylpurin-9-yl)propane-1,2-diol
CID 14555961
[1-(6-amino-2-methylsulfanylpurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 14555969
2-[(6-amino-2-methylsulfanylpurin-9-yl)methoxy]ethanol
CID 14035870
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
(2R,3R)-4-[6-(diethylamino)purin-9-yl]-2,3-dihydroxybutanoic acid
CID 154099172
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
(2S,3S,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90673513
(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
CID 10706793
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid?
The IUPAC name of (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid (CID 160816637) is (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid?
The canonical SMILES for (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid is CSc1nc(N)c2ncn(C[C@@H](O)[C@@H](O)C(=O)O)c2n1.
What is the InChIKey of (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid?
The InChIKey is SEZIUTHZDBJOBF-INEUFUBQSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-20-10-13-7(11)5-8(14-10)15(3-12-5)2-4(16)6(17)9(18)19/h3-4,6,16-17H,2H2,1H3,(H,18,19)(H2,11,13,14)/t4-,6-/m1/s1.
What are the key properties of (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid?
(2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid has a molecular weight of 299.31 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxybutanoic acid is sourced from PubChem (CID 160816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).