2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine

C10H16FN5O4 — CID 130373885

IUPAC2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine
SMILESNC(N)=NC(O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1
InChIInChI=1S/C10H16FN5O4/c11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,9,17-19H,2H2,(H,14,15)(H4,12,13,16)/t4-,5-,6-,7+,9?/m1/s1
InChIKeyJNFOODYEBNPZEJ-XGVUHEBKSA-N
MW289.27 g/mol
LogP-2.19
Rot. Bonds4

About 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine

2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine (PubChem CID 130373885) has the molecular formula C10H16FN5O4 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine.

Molecular Properties

Compound Name2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine
PubChem CID130373885
Molecular FormulaC10H16FN5O4
Molecular Weight289.27 g/mol
Exact Mass289.12
IUPAC Name2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine
SMILESNC(N)=NC(O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1
InChIInChI=1S/C10H16FN5O4/c11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,9,17-19H,2H2,(H,14,15)(H4,12,13,16)/t4-,5-,6-,7+,9?/m1/s1
InChIKeyJNFOODYEBNPZEJ-XGVUHEBKSA-N
XLogP-2.19
TPSA163.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.27
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine?
The IUPAC name of 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine (CID 130373885) is 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine.
What is the SMILES notation for 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine?
The canonical SMILES for 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine is NC(N)=NC(O)c1ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)[nH]1.
What is the InChIKey of 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine?
The InChIKey is JNFOODYEBNPZEJ-XGVUHEBKSA-N. The full InChI is InChI=1S/C10H16FN5O4/c11-5-6(18)4(2-17)20-7(5)3-1-14-8(15-3)9(19)16-10(12)13/h1,4-7,9,17-19H,2H2,(H,14,15)(H4,12,13,16)/t4-,5-,6-,7+,9?/m1/s1.
What are the key properties of 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine?
2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine has a molecular weight of 289.27 g/mol, XLogP of -2.19, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-yl]-hydroxymethyl]guanidine is sourced from PubChem (CID 130373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).