[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol

C10H12FN5O2 — CID 10858004

IUPAC[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
SMILES[2H]C1[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F
InChIInChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1/i1D/t1?,5-,6-,10+
InChIKeyKBEMFSMODRNJHE-BXOOQQRFSA-N
MW254.24 g/mol
LogP0.03
Rot. Bonds2

About [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol

[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol (PubChem CID 10858004) has the molecular formula C10H12FN5O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
PubChem CID10858004
Molecular FormulaC10H12FN5O2
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
SMILES[2H]C1[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F
InChIInChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1/i1D/t1?,5-,6-,10+
InChIKeyKBEMFSMODRNJHE-BXOOQQRFSA-N
XLogP0.03
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol with MolForge

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Related Compounds

magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
CID 54381123
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(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
[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol
CID 67783363
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 21145488
[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10634219

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol (CID 10858004) is [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol is [2H]C1[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1F.
What is the InChIKey of [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol?
The InChIKey is KBEMFSMODRNJHE-BXOOQQRFSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1/i1D/t1?,5-,6-,10+.
What are the key properties of [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol?
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol has a molecular weight of 254.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 10858004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).