(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol

C11H14FN5O3 — CID 137434563

IUPAC(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@]1(CO)OC(n2cnc3c(N)nc(F)nc32)C[C@@H]1O
InChIInChI=1S/C11H14FN5O3/c1-11(3-18)5(19)2-6(20-11)17-4-14-7-8(13)15-10(12)16-9(7)17/h4-6,18-19H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,11+/m0/s1
InChIKeyBICJJWFJMULRFJ-HRDILJOWSA-N
MW283.26 g/mol
LogP-0.42
Rot. Bonds2

About (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol

(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 137434563) has the molecular formula C11H14FN5O3 and a molecular weight of 283.26 g/mol. Its IUPAC name is (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID137434563
Molecular FormulaC11H14FN5O3
Molecular Weight283.26 g/mol
Exact Mass283.11
IUPAC Name(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@]1(CO)OC(n2cnc3c(N)nc(F)nc32)C[C@@H]1O
InChIInChI=1S/C11H14FN5O3/c1-11(3-18)5(19)2-6(20-11)17-4-14-7-8(13)15-10(12)16-9(7)17/h4-6,18-19H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,11+/m0/s1
InChIKeyBICJJWFJMULRFJ-HRDILJOWSA-N
XLogP-0.42
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 ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol (CID 137434563) is (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol is C[C@]1(CO)OC(n2cnc3c(N)nc(F)nc32)C[C@@H]1O.
What is the InChIKey of (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is BICJJWFJMULRFJ-HRDILJOWSA-N. The full InChI is InChI=1S/C11H14FN5O3/c1-11(3-18)5(19)2-6(20-11)17-4-14-7-8(13)15-10(12)16-9(7)17/h4-6,18-19H,2-3H2,1H3,(H2,13,15,16)/t5-,6?,11+/m0/s1.
What are the key properties of (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol?
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 283.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 137434563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).