10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid

C24H32FN5O5 — CID 155685248

IUPAC10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid
SMILESC#CCC[C@@H](OC(=O)CCCCCCCCC(=O)O)[C@@H]1CC[C@H](n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C24H32FN5O5/c1-2-3-10-16(35-20(33)12-9-7-5-4-6-8-11-19(31)32)17-13-14-18(34-17)30-15-27-21-22(26)28-24(25)29-23(21)30/h1,15-18H,3-14H2,(H,31,32)(H2,26,28,29)/t16-,17+,18-/m1/s1
InChIKeyGMZRKFFDHKPMTP-FGTMMUONSA-N
MW489.55 g/mol
LogP3.76
Rot. Bonds14

About 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid

10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid (PubChem CID 155685248) has the molecular formula C24H32FN5O5 and a molecular weight of 489.55 g/mol. Its IUPAC name is 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid
PubChem CID155685248
Molecular FormulaC24H32FN5O5
Molecular Weight489.55 g/mol
Exact Mass489.24
IUPAC Name10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid
SMILESC#CCC[C@@H](OC(=O)CCCCCCCCC(=O)O)[C@@H]1CC[C@H](n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C24H32FN5O5/c1-2-3-10-16(35-20(33)12-9-7-5-4-6-8-11-19(31)32)17-13-14-18(34-17)30-15-27-21-22(26)28-24(25)29-23(21)30/h1,15-18H,3-14H2,(H,31,32)(H2,26,28,29)/t16-,17+,18-/m1/s1
InChIKeyGMZRKFFDHKPMTP-FGTMMUONSA-N
XLogP3.76
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid with MolForge

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Launch Full Analysis

Related Compounds

14-[[5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methoxy]-14-oxotetradecanoic acid
CID 155685207
14-[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy]-14-oxotetradecanoic acid
CID 155685225
[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl tetradecanoate
CID 166754337
[5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methyl octanoate
CID 162390748
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-decanoyloxy-2-ethynyloxolan-2-yl]methyl decanoate
CID 155685157
[5-(6-amino-2-fluoropurin-9-yl)-3-dodecanoyloxy-2-ethynyloxolan-2-yl]methyl dodecanoate
CID 175210364
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-dodecanoyloxy-2-ethynyloxolan-2-yl]methyl dodecanoate
CID 155685116
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hexadecanoyloxyoxolan-2-yl]methyl hexadecanoate
CID 155685198
5-O-[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methyl] 1-O-tetradecyl pentanedioate
CID 155685175
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106

Frequently Asked Questions

What is the IUPAC name of 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid?
The IUPAC name of 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid (CID 155685248) is 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid.
What is the SMILES notation for 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid?
The canonical SMILES for 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid is C#CCC[C@@H](OC(=O)CCCCCCCCC(=O)O)[C@@H]1CC[C@H](n2cnc3c(N)nc(F)nc32)O1.
What is the InChIKey of 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid?
The InChIKey is GMZRKFFDHKPMTP-FGTMMUONSA-N. The full InChI is InChI=1S/C24H32FN5O5/c1-2-3-10-16(35-20(33)12-9-7-5-4-6-8-11-19(31)32)17-13-14-18(34-17)30-15-27-21-22(26)28-24(25)29-23(21)30/h1,15-18H,3-14H2,(H,31,32)(H2,26,28,29)/t16-,17+,18-/m1/s1.
What are the key properties of 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid?
10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid has a molecular weight of 489.55 g/mol, XLogP of 3.76, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1R)-1-[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]pent-4-ynoxy]-10-oxodecanoic acid is sourced from PubChem (CID 155685248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).