(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol

C8H15NO5 — CID 46879415

IUPAC(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol
SMILESO[C@H]1[C@H]2[C@H](O)[C@H](O)CN2[C@H](O)C[C@H]1O
InChIInChI=1S/C8H15NO5/c10-3-1-5(12)9-2-4(11)8(14)6(9)7(3)13/h3-8,10-14H,1-2H2/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKeyHHLGVTQXFOVXKK-CVBHLRHXSA-N
MW205.21 g/mol
LogP-3.16
Rot. Bonds

About (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol

(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol (PubChem CID 46879415) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol.

Molecular Properties

Compound Name(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol
PubChem CID46879415
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol
SMILESO[C@H]1[C@H]2[C@H](O)[C@H](O)CN2[C@H](O)C[C@H]1O
InChIInChI=1S/C8H15NO5/c10-3-1-5(12)9-2-4(11)8(14)6(9)7(3)13/h3-8,10-14H,1-2H2/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKeyHHLGVTQXFOVXKK-CVBHLRHXSA-N
XLogP-3.16
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol?
The IUPAC name of (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol (CID 46879415) is (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol.
What is the SMILES notation for (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol?
The canonical SMILES for (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol is O[C@H]1[C@H]2[C@H](O)[C@H](O)CN2[C@H](O)C[C@H]1O.
What is the InChIKey of (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol?
The InChIKey is HHLGVTQXFOVXKK-CVBHLRHXSA-N. The full InChI is InChI=1S/C8H15NO5/c10-3-1-5(12)9-2-4(11)8(14)6(9)7(3)13/h3-8,10-14H,1-2H2/t3-,4-,5-,6+,7-,8-/m1/s1.
What are the key properties of (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol?
(1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol has a molecular weight of 205.21 g/mol, XLogP of -3.16, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,5,7,8-pentol is sourced from PubChem (CID 46879415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).