(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol

C8H13NO3 — CID 10797262

IUPAC(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol
SMILESO[C@@H]1[C@@H]2[C@@H](O)C=CCN2C[C@@H]1O
InChIInChI=1S/C8H13NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h1-2,5-8,10-12H,3-4H2/t5-,6-,7-,8-/m0/s1
InChIKeyPFSRZTHZLUQLLG-XAMCCFCMSA-N
MW171.20 g/mol
LogP-1.68
Rot. Bonds

About (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol

(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol (PubChem CID 10797262) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol.

Molecular Properties

Compound Name(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol
PubChem CID10797262
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol
SMILESO[C@@H]1[C@@H]2[C@@H](O)C=CCN2C[C@@H]1O
InChIInChI=1S/C8H13NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h1-2,5-8,10-12H,3-4H2/t5-,6-,7-,8-/m0/s1
InChIKeyPFSRZTHZLUQLLG-XAMCCFCMSA-N
XLogP-1.68
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol with MolForge

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Related Compounds

(1S,2R,3R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-4-ene-1,2,3-triol
CID 56969455
(1S,2R,8R,8aR)-1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11106035
(1S,2S,8R,8aR)-1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 56986731
1,2,3,5,8,8a-Hexahydroindolizine-1,2,5,8-tetrol
CID 57036186
(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
CID 67707947
(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
CID 10374532
(1S,2S,8AS)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11073649
(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol
CID 11298089
(1S,2S,8aS)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol
CID 11321077
(1S,2S,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11804994
7-Methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol
CID 14430944
1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 19045973

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol?
The IUPAC name of (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol (CID 10797262) is (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol.
What is the SMILES notation for (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol?
The canonical SMILES for (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol is O[C@@H]1[C@@H]2[C@@H](O)C=CCN2C[C@@H]1O.
What is the InChIKey of (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol?
The InChIKey is PFSRZTHZLUQLLG-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h1-2,5-8,10-12H,3-4H2/t5-,6-,7-,8-/m0/s1.
What are the key properties of (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol?
(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol has a molecular weight of 171.20 g/mol, XLogP of -1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol is sourced from PubChem (CID 10797262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).