(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C12H15N5O4 — CID 135976176

IUPAC(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c2NCn2ccnc2-3)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H15N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,5-6,8-9,12,15,18-20H,3-4H2/t6-,8-,9-,12-/m1/s1
InChIKeyYACMFRNEITZPKL-WOUKDFQISA-N
MW293.28 g/mol
LogP-1.26
Rot. Bonds2

About (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 135976176) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID135976176
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c2NCn2ccnc2-3)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H15N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,5-6,8-9,12,15,18-20H,3-4H2/t6-,8-,9-,12-/m1/s1
InChIKeyYACMFRNEITZPKL-WOUKDFQISA-N
XLogP-1.26
TPSA117.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 60961
Vidarabine
CID 21704
Nebularine
CID 68368
Tecadenoson
CID 158795
N6-Methyladenosine
CID 102175
N6-Cyclopentyladenosine
CID 657378
(2R,3S,4R,5S)-2-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 448378
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
9-Pentofuranosyl-9H-purine
CID 248425
9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-, hydrate (1:1)
CID 32326
8-Aminoadenosine
CID 96851
9 beta-D-xylofuranosyladenine
CID 447916

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 135976176) is (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cnc3c2NCn2ccnc2-3)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YACMFRNEITZPKL-WOUKDFQISA-N. The full InChI is InChI=1S/C12H15N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,5-6,8-9,12,15,18-20H,3-4H2/t6-,8-,9-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 293.28 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 135976176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).