(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol

C16H21N3O6 — CID 11952888

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
SMILESOC[C@@H]1CCCN1c1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12
InChIInChI=1S/C16H21N3O6/c20-4-8-2-1-3-19(8)16-15-11(17-7-18-16)9(6-24-15)14-13(23)12(22)10(5-21)25-14/h6-8,10,12-14,20-23H,1-5H2/t8-,10+,12+,13+,14-/m0/s1
InChIKeyGENKVJHWXXZMFI-ZSEFECIWSA-N
MW351.36 g/mol
LogP-0.66
Rot. Bonds4

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol (PubChem CID 11952888) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
PubChem CID11952888
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol
SMILESOC[C@@H]1CCCN1c1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12
InChIInChI=1S/C16H21N3O6/c20-4-8-2-1-3-19(8)16-15-11(17-7-18-16)9(6-24-15)14-13(23)12(22)10(5-21)25-14/h6-8,10,12-14,20-23H,1-5H2/t8-,10+,12+,13+,14-/m0/s1
InChIKeyGENKVJHWXXZMFI-ZSEFECIWSA-N
XLogP-0.66
TPSA132.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol 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

(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11652458
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11952930
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(6-piperidin-1-ylpurin-9-yl)oxolane-3,4-diol
CID 928080
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)purin-9-yl]oxolane-3,4-diol
CID 10135424
(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 59859718
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
CID 23253156

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol (CID 11952888) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol is OC[C@@H]1CCCN1c1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
The InChIKey is GENKVJHWXXZMFI-ZSEFECIWSA-N. The full InChI is InChI=1S/C16H21N3O6/c20-4-8-2-1-3-19(8)16-15-11(17-7-18-16)9(6-24-15)14-13(23)12(22)10(5-21)25-14/h6-8,10,12-14,20-23H,1-5H2/t8-,10+,12+,13+,14-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol has a molecular weight of 351.36 g/mol, XLogP of -0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-7-yl]oxolane-3,4-diol is sourced from PubChem (CID 11952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).