(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol

C15H22N6O3 — CID 21145701

IUPAC(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(N2CCCCC2)[C@H]1O
InChIInChI=1S/C15H22N6O3/c16-13-10-14(18-7-17-13)21(8-19-10)15-12(23)11(9(6-22)24-15)20-4-2-1-3-5-20/h7-9,11-12,15,22-23H,1-6H2,(H2,16,17,18)/t9-,11?,12-,15-/m1/s1
InChIKeyNOFPOPPOPADARL-IORQEMBQSA-N
MW334.38 g/mol
LogP-0.49
Rot. Bonds3

About (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol (PubChem CID 21145701) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
PubChem CID21145701
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(N2CCCCC2)[C@H]1O
InChIInChI=1S/C15H22N6O3/c16-13-10-14(18-7-17-13)21(8-19-10)15-12(23)11(9(6-22)24-15)20-4-2-1-3-5-20/h7-9,11-12,15,22-23H,1-6H2,(H2,16,17,18)/t9-,11?,12-,15-/m1/s1
InChIKeyNOFPOPPOPADARL-IORQEMBQSA-N
XLogP-0.49
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,3R,4R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 12800105
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol azide
CID 89464553
(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-5-(hydroxymethyl)oxolan-3-ol
CID 162472543

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol (CID 21145701) is (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(N2CCCCC2)[C@H]1O.
What is the InChIKey of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The InChIKey is NOFPOPPOPADARL-IORQEMBQSA-N. The full InChI is InChI=1S/C15H22N6O3/c16-13-10-14(18-7-17-13)21(8-19-10)15-12(23)11(9(6-22)24-15)20-4-2-1-3-5-20/h7-9,11-12,15,22-23H,1-6H2,(H2,16,17,18)/t9-,11?,12-,15-/m1/s1.
What are the key properties of (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol has a molecular weight of 334.38 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol is sourced from PubChem (CID 21145701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).