(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine

C11H16N4O4 — CID 66596990

IUPAC(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine
SMILESCc1ncnc2nc[nH]c12.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H6N4.C5H10O4/c1-4-5-6(9-2-7-4)10-3-8-5;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,7,8,9,10);3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyAJCRHYNHNDHSLZ-HEEXEHOYSA-N
MW268.27 g/mol
LogP-1.24
Rot. Bonds1

About (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine

(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine (PubChem CID 66596990) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine
PubChem CID66596990
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine
SMILESCc1ncnc2nc[nH]c12.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H6N4.C5H10O4/c1-4-5-6(9-2-7-4)10-3-8-5;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,7,8,9,10);3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyAJCRHYNHNDHSLZ-HEEXEHOYSA-N
XLogP-1.24
TPSA124.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine (CID 66596990) is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine is Cc1ncnc2nc[nH]c12.OC[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine?
The InChIKey is AJCRHYNHNDHSLZ-HEEXEHOYSA-N. The full InChI is InChI=1S/C6H6N4.C5H10O4/c1-4-5-6(9-2-7-4)10-3-8-5;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,7,8,9,10);3-8H,1-2H2/t;3-,4+,5-/m.0/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine?
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine has a molecular weight of 268.27 g/mol, XLogP of -1.24, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine is sourced from PubChem (CID 66596990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).