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

C8H15NO3 — CID 11194609

IUPAC(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
SMILESO[C@@H]1[C@@H](O)[C@@H](O)CN2CCC[C@H]12
InChIInChI=1S/C8H15NO3/c10-6-4-9-3-1-2-5(9)7(11)8(6)12/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m1/s1
InChIKeyNCQXPGNMJJWGLP-KVPKETBZSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds

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

(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol (PubChem CID 11194609) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
PubChem CID11194609
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
SMILESO[C@@H]1[C@@H](O)[C@@H](O)CN2CCC[C@H]12
InChIInChI=1S/C8H15NO3/c10-6-4-9-3-1-2-5(9)7(11)8(6)12/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m1/s1
InChIKeyNCQXPGNMJJWGLP-KVPKETBZSA-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 (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The IUPAC name of (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol (CID 11194609) is (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol is O[C@@H]1[C@@H](O)[C@@H](O)CN2CCC[C@H]12.
What is the InChIKey of (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The InChIKey is NCQXPGNMJJWGLP-KVPKETBZSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-4-9-3-1-2-5(9)7(11)8(6)12/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m1/s1.
What are the key properties of (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
(6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-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 (6S,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol is sourced from PubChem (CID 11194609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).