(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol

C8H15NO3 — CID 14655858

IUPAC(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
SMILESO[C@H]1C[C@H](O)C2[C@@H](O)CCN2C1
InChIInChI=1S/C8H15NO3/c10-5-3-7(12)8-6(11)1-2-9(8)4-5/h5-8,10-12H,1-4H2/t5-,6-,7-,8?/m0/s1
InChIKeyCTNHKDHQKRJTIU-FKMOCYPUSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds

About (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol

(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol (PubChem CID 14655858) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol.

Molecular Properties

Compound Name(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
PubChem CID14655858
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
SMILESO[C@H]1C[C@H](O)C2[C@@H](O)CCN2C1
InChIInChI=1S/C8H15NO3/c10-5-3-7(12)8-6(11)1-2-9(8)4-5/h5-8,10-12H,1-4H2/t5-,6-,7-,8?/m0/s1
InChIKeyCTNHKDHQKRJTIU-FKMOCYPUSA-N
XLogP-1.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol?
The IUPAC name of (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol (CID 14655858) is (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol.
What is the SMILES notation for (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol?
The canonical SMILES for (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol is O[C@H]1C[C@H](O)C2[C@@H](O)CCN2C1.
What is the InChIKey of (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol?
The InChIKey is CTNHKDHQKRJTIU-FKMOCYPUSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-3-7(12)8-6(11)1-2-9(8)4-5/h5-8,10-12H,1-4H2/t5-,6-,7-,8?/m0/s1.
What are the key properties of (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol?
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol has a molecular weight of 173.21 g/mol, XLogP of -1.45, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol is sourced from PubChem (CID 14655858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).