(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol

C10H13FN6O3 — CID 90352589

IUPAC(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
SMILESC[C@]1(O)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H13FN6O3/c1-10(19)5(18)3(11)8(20-10)17-2-14-4-6(12)15-9(13)16-7(4)17/h2-3,5,8,18-19H,1H3,(H4,12,13,15,16)/t3-,5+,8-,10+/m1/s1
InChIKeyIYFGRIPXRMGHKF-SGTSVOGBSA-N
MW284.25 g/mol
LogP-1.07
Rot. Bonds1

About (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol

(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol (PubChem CID 90352589) has the molecular formula C10H13FN6O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
PubChem CID90352589
Molecular FormulaC10H13FN6O3
Molecular Weight284.25 g/mol
Exact Mass284.10
IUPAC Name(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
SMILESC[C@]1(O)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H13FN6O3/c1-10(19)5(18)3(11)8(20-10)17-2-14-4-6(12)15-9(13)16-7(4)17/h2-3,5,8,18-19H,1H3,(H4,12,13,15,16)/t3-,5+,8-,10+/m1/s1
InChIKeyIYFGRIPXRMGHKF-SGTSVOGBSA-N
XLogP-1.07
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol with MolForge

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Related Compounds

(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 71761492
(2R,3R,4S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 175677766
(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165851
(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165909
(2S,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-2,4-difluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 134249551
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
CID 67743891
(2R)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
CID 57291873
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol?
The IUPAC name of (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol (CID 90352589) is (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol.
What is the SMILES notation for (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol?
The canonical SMILES for (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol is C[C@]1(O)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](F)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol?
The InChIKey is IYFGRIPXRMGHKF-SGTSVOGBSA-N. The full InChI is InChI=1S/C10H13FN6O3/c1-10(19)5(18)3(11)8(20-10)17-2-14-4-6(12)15-9(13)16-7(4)17/h2-3,5,8,18-19H,1H3,(H4,12,13,15,16)/t3-,5+,8-,10+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol?
(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol has a molecular weight of 284.25 g/mol, XLogP of -1.07, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol is sourced from PubChem (CID 90352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).