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

C20H33N5O4 — CID 70522706

IUPAC(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol
SMILESCCCCC[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@]1(O)CCCCC
InChIInChI=1S/C20H33N5O4/c1-3-5-7-9-19(27)14(11-26)29-18(20(19,28)10-8-6-4-2)25-13-24-15-16(21)22-12-23-17(15)25/h12-14,18,26-28H,3-11H2,1-2H3,(H2,21,22,23)/t14-,18-,19-,20+/m1/s1
InChIKeyUFXKBZIYOLYZGJ-DMSXTEQDSA-N
MW407.52 g/mol
LogP1.92
Rot. Bonds10

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

(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol (PubChem CID 70522706) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol
PubChem CID70522706
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol
SMILESCCCCC[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@]1(O)CCCCC
InChIInChI=1S/C20H33N5O4/c1-3-5-7-9-19(27)14(11-26)29-18(20(19,28)10-8-6-4-2)25-13-24-15-16(21)22-12-23-17(15)25/h12-14,18,26-28H,3-11H2,1-2H3,(H2,21,22,23)/t14-,18-,19-,20+/m1/s1
InChIKeyUFXKBZIYOLYZGJ-DMSXTEQDSA-N
XLogP1.92
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

[(2S,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 146193214
1-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]ethanone
CID 54484299
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-trimethylsilyloxolane-3,4-diol
CID 175851034
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 3009858
3-(6-aminopurin-9-yl)-4-(2-fluoroethyl)-2-oxabicyclo[3.1.0]hexane-4,5,6-triol
CID 123831526
(2R,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 11644920
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 152762007
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-4-methyloxolan-3-ol
CID 3009859
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-propa-1,2-dienyloxolane-3,4-diol
CID 66556043

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol (CID 70522706) is (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol is CCCCC[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@]1(O)CCCCC.
What is the InChIKey of (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol?
The InChIKey is UFXKBZIYOLYZGJ-DMSXTEQDSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-3-5-7-9-19(27)14(11-26)29-18(20(19,28)10-8-6-4-2)25-13-24-15-16(21)22-12-23-17(15)25/h12-14,18,26-28H,3-11H2,1-2H3,(H2,21,22,23)/t14-,18-,19-,20+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol has a molecular weight of 407.52 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-dipentyloxolane-3,4-diol is sourced from PubChem (CID 70522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).