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

C13H17N3O6 — CID 11952930

IUPAC(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCCNc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12
InChIInChI=1S/C13H17N3O6/c17-2-1-14-13-12-8(15-5-16-13)6(4-21-12)11-10(20)9(19)7(3-18)22-11/h4-5,7,9-11,17-20H,1-3H2,(H,14,15,16)/t7-,9-,10-,11+/m1/s1
InChIKeyVPJKNYKKLRPJJK-WKJUBOCMSA-N
MW311.29 g/mol
LogP-1.22
Rot. Bonds5

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

(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11952930) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11952930
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCCNc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12
InChIInChI=1S/C13H17N3O6/c17-2-1-14-13-12-8(15-5-16-13)6(4-21-12)11-10(20)9(19)7(3-18)22-11/h4-5,7,9-11,17-20H,1-3H2,(H,14,15,16)/t7-,9-,10-,11+/m1/s1
InChIKeyVPJKNYKKLRPJJK-WKJUBOCMSA-N
XLogP-1.22
TPSA141.10 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
(2S,3R,4S,5R)-2-[4-(azetidin-1-yl)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11652458
(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
[[(2R,3S,4R,5S)-5-[4-(benzylamino)furo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 155228280
[[(2R,3S,4R,5R)-5-[4-(benzylamino)furo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 162532937
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
CID 59859715
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-phenoxypropylamino)purin-9-yl]oxolane-3,4-diol
CID 127030291
(2R,3R,4R,5S)-5-(7-aminofuro[3,2-b]pyridin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 59859718
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[[8-(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]oxolane-3,4-diol
CID 14444273
(2R,3R,4R,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 5273501

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11952930) is (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OCCNc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)coc12.
What is the InChIKey of (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is VPJKNYKKLRPJJK-WKJUBOCMSA-N. The full InChI is InChI=1S/C13H17N3O6/c17-2-1-14-13-12-8(15-5-16-13)6(4-21-12)11-10(20)9(19)7(3-18)22-11/h4-5,7,9-11,17-20H,1-3H2,(H,14,15,16)/t7-,9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 311.29 g/mol, XLogP of -1.22, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11952930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).