(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol

C12H18N2O7 — CID 5289600

IUPAC(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](O[C@@H]2Cn3ccnc3[C@H](O)[C@H]2O)OC[C@H]1O
InChIInChI=1S/C12H18N2O7/c15-5-4-20-12(10(19)7(5)16)21-6-3-14-2-1-13-11(14)9(18)8(6)17/h1-2,5-10,12,15-19H,3-4H2/t5-,6-,7+,8+,9-,10-,12+/m1/s1
InChIKeyXFBMCAGSUXSLGT-OQQKKJOASA-N
MW302.28 g/mol
LogP-2.88
Rot. Bonds2

About (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol

(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol (PubChem CID 5289600) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol
PubChem CID5289600
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](O[C@@H]2Cn3ccnc3[C@H](O)[C@H]2O)OC[C@H]1O
InChIInChI=1S/C12H18N2O7/c15-5-4-20-12(10(19)7(5)16)21-6-3-14-2-1-13-11(14)9(18)8(6)17/h1-2,5-10,12,15-19H,3-4H2/t5-,6-,7+,8+,9-,10-,12+/m1/s1
InChIKeyXFBMCAGSUXSLGT-OQQKKJOASA-N
XLogP-2.88
TPSA137.43 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol (CID 5289600) is (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](O[C@@H]2Cn3ccnc3[C@H](O)[C@H]2O)OC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol?
The InChIKey is XFBMCAGSUXSLGT-OQQKKJOASA-N. The full InChI is InChI=1S/C12H18N2O7/c15-5-4-20-12(10(19)7(5)16)21-6-3-14-2-1-13-11(14)9(18)8(6)17/h1-2,5-10,12,15-19H,3-4H2/t5-,6-,7+,8+,9-,10-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol has a molecular weight of 302.28 g/mol, XLogP of -2.88, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[[(6R,7R,8S)-7,8-dihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 5289600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).