(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H15N5O4 — CID 46877014

IUPAC(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21
InChIInChI=1S/C10H15N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2,4,6-7,10,16-18H,1,3H2,(H2,11,14)(H,12,13)/t4-,6-,7-,10?/m1/s1
InChIKeyHMAOYRDPJWFYKD-VTHZCTBJSA-N
MW269.26 g/mol
LogP-2.67
Rot. Bonds2

About (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 46877014) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID46877014
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21
InChIInChI=1S/C10H15N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2,4,6-7,10,16-18H,1,3H2,(H2,11,14)(H,12,13)/t4-,6-,7-,10?/m1/s1
InChIKeyHMAOYRDPJWFYKD-VTHZCTBJSA-N
XLogP-2.67
TPSA140.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

Inosine
CID 135398641
6-Thioinosine
CID 676166
1-Methyladenosine
CID 27476
Thioguanosine
CID 2724387
2'-Deoxy-6-thioguanosine
CID 3000603
6-Mercaptopurine ribonucleoside triphosphate
CID 3036942
2-Amino-6-mercaptopurine riboside
CID 3938248
beta-Inosine
CID 135402037
6-Thioguanosine monophosphate
CID 3034646
Cyclic ADP-Ribose
CID 123847
Arabinosylhypoxanthine
CID 135992491
6-Thioinosinic acid
CID 3034391

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 46877014) is (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is NC1=NCN(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c21.
What is the InChIKey of (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is HMAOYRDPJWFYKD-VTHZCTBJSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(18)6(17)4(1-16)19-10/h2,4,6-7,10,16-18H,1,3H2,(H2,11,14)(H,12,13)/t4-,6-,7-,10?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 269.26 g/mol, XLogP of -2.67, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 46877014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).