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

C8H15NO4 — CID 67721866

IUPAC(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol
SMILESOC1CC(O)C2[C@H](O)C(O)CN2C1
InChIInChI=1S/C8H15NO4/c10-4-1-5(11)7-8(13)6(12)3-9(7)2-4/h4-8,10-13H,1-3H2/t4?,5?,6?,7?,8-/m1/s1
InChIKeyVQWMVUJLMPYTTR-WTZNIHQSSA-N
MW189.21 g/mol
LogP-2.48
Rot. Bonds

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

(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol (PubChem CID 67721866) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol.

Molecular Properties

Compound Name(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol
PubChem CID67721866
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol
SMILESOC1CC(O)C2[C@H](O)C(O)CN2C1
InChIInChI=1S/C8H15NO4/c10-4-1-5(11)7-8(13)6(12)3-9(7)2-4/h4-8,10-13H,1-3H2/t4?,5?,6?,7?,8-/m1/s1
InChIKeyVQWMVUJLMPYTTR-WTZNIHQSSA-N
XLogP-2.48
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol?
The IUPAC name of (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol (CID 67721866) is (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol.
What is the SMILES notation for (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol?
The canonical SMILES for (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol is OC1CC(O)C2[C@H](O)C(O)CN2C1.
What is the InChIKey of (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol?
The InChIKey is VQWMVUJLMPYTTR-WTZNIHQSSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-5(11)7-8(13)6(12)3-9(7)2-4/h4-8,10-13H,1-3H2/t4?,5?,6?,7?,8-/m1/s1.
What are the key properties of (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol?
(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol has a molecular weight of 189.21 g/mol, XLogP of -2.48, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol is sourced from PubChem (CID 67721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).