(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C17H19N5O4 — CID 163296362

IUPAC(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C17H19N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,11-13,23-24H,6-8H2,(H2,18,19,20)/t11?,12-,13-/m1/s1
InChIKeyRMKGWLUSIWDAMW-VFRRUGBOSA-N
MW357.37 g/mol
LogP0.63
Rot. Bonds5

About (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 163296362) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID163296362
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C17H19N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,11-13,23-24H,6-8H2,(H2,18,19,20)/t11?,12-,13-/m1/s1
InChIKeyRMKGWLUSIWDAMW-VFRRUGBOSA-N
XLogP0.63
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4S,5R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14702123
(2R,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 42531062
(2R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-4-ol
CID 156724421
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584681
(2R,3S,5R)-5-[6-amino-8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584459
(2R,3S,5R)-5-[6-amino-8-(2-trimethylsilylethylsulfanyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10833864
(2R,3S,5R)-5-(6-amino-8-pentylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512596
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
1-[4-[4-[6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]phenyl]phenyl]ethanone
CID 139184636
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,5R)-5-[6-amino-8-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584457

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 163296362) is (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1CC(O)[C@@H](CO)O1.
What is the InChIKey of (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is RMKGWLUSIWDAMW-VFRRUGBOSA-N. The full InChI is InChI=1S/C17H19N5O4/c18-15-14-16(20-9-19-15)22(13-6-11(24)12(7-23)26-13)17(21-14)25-8-10-4-2-1-3-5-10/h1-5,9,11-13,23-24H,6-8H2,(H2,18,19,20)/t11?,12-,13-/m1/s1.
What are the key properties of (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 357.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 163296362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).