(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C10H16N2O6 — CID 23586181

IUPAC(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCO[C@H](O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/t5-,6-,7+,8-,10+/m1/s1
InChIKeyFURNYGCGTCIRPM-GBMPTNJUSA-N
MW260.25 g/mol
LogP-2.18
Rot. Bonds3

About (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 23586181) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID23586181
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCO[C@H](O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChIInChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/t5-,6-,7+,8-,10+/m1/s1
InChIKeyFURNYGCGTCIRPM-GBMPTNJUSA-N
XLogP-2.18
TPSA128.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 23586181) is (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is CO[C@H](O)c1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO.
What is the InChIKey of (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is FURNYGCGTCIRPM-GBMPTNJUSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/t5-,6-,7+,8-,10+/m1/s1.
What are the key properties of (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 260.25 g/mol, XLogP of -2.18, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8S)-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 23586181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).