(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol

C8H13NO4 — CID 67707947

IUPAC(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
SMILESOC1C=C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)CN12
InChIInChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2/t4-,5-,6?,7-,8-/m1/s1
InChIKeyUGEFLCFIEQOKDQ-WFVKVJENSA-N
MW187.19 g/mol
LogP-2.36
Rot. Bonds

About (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol

(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol (PubChem CID 67707947) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol.

Molecular Properties

Compound Name(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
PubChem CID67707947
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
SMILESOC1C=C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)CN12
InChIInChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2/t4-,5-,6?,7-,8-/m1/s1
InChIKeyUGEFLCFIEQOKDQ-WFVKVJENSA-N
XLogP-2.36
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The IUPAC name of (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol (CID 67707947) is (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol.
What is the SMILES notation for (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The canonical SMILES for (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol is OC1C=C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)CN12.
What is the InChIKey of (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The InChIKey is UGEFLCFIEQOKDQ-WFVKVJENSA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2/t4-,5-,6?,7-,8-/m1/s1.
What are the key properties of (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol has a molecular weight of 187.19 g/mol, XLogP of -2.36, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol is sourced from PubChem (CID 67707947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).