(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol

C8H15NO2 — CID 102129137

IUPAC(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
SMILESO[C@@H]1C[C@H](O)[C@H]2CCCN2C1
InChIInChI=1S/C8H15NO2/c10-6-4-8(11)7-2-1-3-9(7)5-6/h6-8,10-11H,1-5H2/t6-,7-,8+/m1/s1
InChIKeyKGJAOBKFLYYUBC-PRJMDXOYSA-N
MW157.21 g/mol
LogP-0.42
Rot. Bonds

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

(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol (PubChem CID 102129137) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol.

Molecular Properties

Compound Name(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
PubChem CID102129137
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
SMILESO[C@@H]1C[C@H](O)[C@H]2CCCN2C1
InChIInChI=1S/C8H15NO2/c10-6-4-8(11)7-2-1-3-9(7)5-6/h6-8,10-11H,1-5H2/t6-,7-,8+/m1/s1
InChIKeyKGJAOBKFLYYUBC-PRJMDXOYSA-N
XLogP-0.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

Swainsonine
CID 51683
Castanospermine
CID 54445
6-Epicastanospermine
CID 184806
Octahydroindolizine-1,2,8-triol
CID 5363
(1R,2S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 11084361
(-)-uniflorine A
CID 9794258
uniflorine B
CID 46879415
7-Deoxycastanospermine
CID 125391
(1R,8aS)-octahydroindolizin-1-ol
CID 11182655
Tocris-0759
CID 6604755
1,6,7,8-Indolizinetetrol, octahydro-, (1R-(1alpha,6alpha,7alpha,8beta,8abeta))-
CID 451989
Octahydroindolizine-1,6,7,8-tetrol
CID 2592

Frequently Asked Questions

What is the IUPAC name of (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The IUPAC name of (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol (CID 102129137) is (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol.
What is the SMILES notation for (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The canonical SMILES for (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol is O[C@@H]1C[C@H](O)[C@H]2CCCN2C1.
What is the InChIKey of (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
The InChIKey is KGJAOBKFLYYUBC-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-6-4-8(11)7-2-1-3-9(7)5-6/h6-8,10-11H,1-5H2/t6-,7-,8+/m1/s1.
What are the key properties of (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol?
(6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol has a molecular weight of 157.21 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol is sourced from PubChem (CID 102129137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).