(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol

C11H15N5O5 — CID 57078975

IUPAC(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1OC(CO)(CO)C(O)C1O
InChIInChI=1S/C11H15N5O5/c12-8-5-9(14-3-13-8)16(4-15-5)10-6(19)7(20)11(1-17,2-18)21-10/h3-4,6-7,10,17-20H,1-2H2,(H2,12,13,14)/t6?,7?,10-/m1/s1
InChIKeyWBNQTEKLVXXLQW-HNQUHTCLSA-N
MW297.27 g/mol
LogP-2.62
Rot. Bonds3

About (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol

(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 57078975) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID57078975
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1OC(CO)(CO)C(O)C1O
InChIInChI=1S/C11H15N5O5/c12-8-5-9(14-3-13-8)16(4-15-5)10-6(19)7(20)11(1-17,2-18)21-10/h3-4,6-7,10,17-20H,1-2H2,(H2,12,13,14)/t6?,7?,10-/m1/s1
InChIKeyWBNQTEKLVXXLQW-HNQUHTCLSA-N
XLogP-2.62
TPSA159.77 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 21147838
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 59138443
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 22677627
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
(3R,4R)-6-(6-aminopurin-9-yl)-3-(hydroxymethyl)-5-oxaspiro[3.4]octane-7,8-diol
CID 155408841
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
CID 174023989
(1R,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexane-4,5,6-triol
CID 163916891
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(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-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol (CID 57078975) is (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1ncn2[C@@H]1OC(CO)(CO)C(O)C1O.
What is the InChIKey of (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is WBNQTEKLVXXLQW-HNQUHTCLSA-N. The full InChI is InChI=1S/C11H15N5O5/c12-8-5-9(14-3-13-8)16(4-15-5)10-6(19)7(20)11(1-17,2-18)21-10/h3-4,6-7,10,17-20H,1-2H2,(H2,12,13,14)/t6?,7?,10-/m1/s1.
What are the key properties of (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol?
(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 297.27 g/mol, XLogP of -2.62, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 57078975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).