(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol

C15H24N6O4 — CID 91126987

IUPAC(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol
SMILESCCCCCO[C@@H]1[C@@H](CO)OC(n2cnc3c(N)nc(N)nc32)[C@@H]1O
InChIInChI=1S/C15H24N6O4/c1-2-3-4-5-24-11-8(6-22)25-14(10(11)23)21-7-18-9-12(16)19-15(17)20-13(9)21/h7-8,10-11,14,22-23H,2-6H2,1H3,(H4,16,17,19,20)/t8-,10-,11-,14?/m1/s1
InChIKeyXYHVOKXYNVIWMI-OYBGHCQBSA-N
MW352.40 g/mol
LogP-0.18
Rot. Bonds7

About (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol

(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol (PubChem CID 91126987) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol
PubChem CID91126987
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Name(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol
SMILESCCCCCO[C@@H]1[C@@H](CO)OC(n2cnc3c(N)nc(N)nc32)[C@@H]1O
InChIInChI=1S/C15H24N6O4/c1-2-3-4-5-24-11-8(6-22)25-14(10(11)23)21-7-18-9-12(16)19-15(17)20-13(9)21/h7-8,10-11,14,22-23H,2-6H2,1H3,(H4,16,17,19,20)/t8-,10-,11-,14?/m1/s1
InChIKeyXYHVOKXYNVIWMI-OYBGHCQBSA-N
XLogP-0.18
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-(methylsulfanylmethoxy)oxolan-3-ol
CID 131863288
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(2R,3R,4S,5R)-4-chloro-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 144853999
(2R,5R)-4-(3-aminopropoxy)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 69356785
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189
(3S,4R,5S)-2-(6-amino-2-hexylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70812240
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
(2R,3R,4S,5R)-2-(2-amino-6-pentylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 127261544
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
9-[(2R,3R,4R,5R)-3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]-2-fluoropurin-6-amine
CID 67644397
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-dihydroxyphosphinothioyloxy-4-hexadecoxyoxolan-2-yl]methanol
CID 162505491

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol?
The IUPAC name of (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol (CID 91126987) is (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol.
What is the SMILES notation for (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol?
The canonical SMILES for (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol is CCCCCO[C@@H]1[C@@H](CO)OC(n2cnc3c(N)nc(N)nc32)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol?
The InChIKey is XYHVOKXYNVIWMI-OYBGHCQBSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-2-3-4-5-24-11-8(6-22)25-14(10(11)23)21-7-18-9-12(16)19-15(17)20-13(9)21/h7-8,10-11,14,22-23H,2-6H2,1H3,(H4,16,17,19,20)/t8-,10-,11-,14?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol?
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol has a molecular weight of 352.40 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)-4-pentoxyoxolan-3-ol is sourced from PubChem (CID 91126987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).