(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol

C10H12N4O3 — CID 70011183

IUPAC(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol
SMILESC[C@H]1OC(c2nc3ncncc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N4O3/c1-4-6(15)7(16)8(17-4)10-13-5-2-11-3-12-9(5)14-10/h2-4,6-8,15-16H,1H3,(H,11,12,13,14)/t4-,6-,7-,8?/m1/s1
InChIKeyRJXIHZSLQKVRSS-ZRTZXPPTSA-N
MW236.23 g/mol
LogP-0.47
Rot. Bonds1

About (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol

(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol (PubChem CID 70011183) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol
PubChem CID70011183
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol
SMILESC[C@H]1OC(c2nc3ncncc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N4O3/c1-4-6(15)7(16)8(17-4)10-13-5-2-11-3-12-9(5)14-10/h2-4,6-8,15-16H,1H3,(H,11,12,13,14)/t4-,6-,7-,8?/m1/s1
InChIKeyRJXIHZSLQKVRSS-ZRTZXPPTSA-N
XLogP-0.47
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol (CID 70011183) is (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol is C[C@H]1OC(c2nc3ncncc3[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol?
The InChIKey is RJXIHZSLQKVRSS-ZRTZXPPTSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-4-6(15)7(16)8(17-4)10-13-5-2-11-3-12-9(5)14-10/h2-4,6-8,15-16H,1H3,(H,11,12,13,14)/t4-,6-,7-,8?/m1/s1.
What are the key properties of (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol has a molecular weight of 236.23 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-methyl-5-(7H-purin-8-yl)oxolane-3,4-diol is sourced from PubChem (CID 70011183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).