(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol

C15H19N3O4 — CID 131633001

IUPAC(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1
InChIKeyXNWVPLWFFIGCKG-DHGKCCLASA-N
MW305.33 g/mol
LogP-0.44
Rot. Bonds3

About (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol

(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol (PubChem CID 131633001) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol
PubChem CID131633001
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1
InChIKeyXNWVPLWFFIGCKG-DHGKCCLASA-N
XLogP-0.44
TPSA124.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol (CID 131633001) is (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol?
The InChIKey is XNWVPLWFFIGCKG-DHGKCCLASA-N. The full InChI is InChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol?
(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol has a molecular weight of 305.33 g/mol, XLogP of -0.44, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol is sourced from PubChem (CID 131633001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).