(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol

C11H14FN5O3 — CID 11460257

IUPAC(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol
SMILESNc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C11H14FN5O3/c12-7-5(2-20-6(1-18)9(7)19)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,9,18-19H,1-2H2,(H2,13,14,15)/t5-,6-,7+,9-/m1/s1
InChIKeyMMXBWFAVKUUELR-JAGXHNFQSA-N
MW283.26 g/mol
LogP-0.96
Rot. Bonds2

About (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol

(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol (PubChem CID 11460257) has the molecular formula C11H14FN5O3 and a molecular weight of 283.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol
PubChem CID11460257
Molecular FormulaC11H14FN5O3
Molecular Weight283.26 g/mol
Exact Mass283.11
IUPAC Name(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol
SMILESNc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C11H14FN5O3/c12-7-5(2-20-6(1-18)9(7)19)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,9,18-19H,1-2H2,(H2,13,14,15)/t5-,6-,7+,9-/m1/s1
InChIKeyMMXBWFAVKUUELR-JAGXHNFQSA-N
XLogP-0.96
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(2R,3S,4S,5R,6S,7R)-7-(6-aminopurin-9-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940294
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol (CID 11460257) is (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol is Nc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is MMXBWFAVKUUELR-JAGXHNFQSA-N. The full InChI is InChI=1S/C11H14FN5O3/c12-7-5(2-20-6(1-18)9(7)19)17-4-16-8-10(13)14-3-15-11(8)17/h3-7,9,18-19H,1-2H2,(H2,13,14,15)/t5-,6-,7+,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol?
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 283.26 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 11460257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).