(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol

C10H12N4O3 — CID 68673316

IUPAC(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cncnc32)C[C@H]1O
InChIInChI=1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8-,9-/m1/s1
InChIKeyWJBNIBFTNGZFBW-IWSPIJDZSA-N
MW236.23 g/mol
LogP-0.53
Rot. Bonds2

About (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol

(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol (PubChem CID 68673316) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
PubChem CID68673316
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cncnc32)C[C@H]1O
InChIInChI=1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8-,9-/m1/s1
InChIKeyWJBNIBFTNGZFBW-IWSPIJDZSA-N
XLogP-0.53
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol (CID 68673316) is (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol is OC[C@H]1O[C@@H](n2cnc3cncnc32)C[C@H]1O.
What is the InChIKey of (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
The InChIKey is WJBNIBFTNGZFBW-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol?
(2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol has a molecular weight of 236.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol is sourced from PubChem (CID 68673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).