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

C8H15NO4 — CID 2592

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
SMILESOC1CN2CCC(O)C2C(O)C1O
InChIInChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2
InChIKeyJDVVGAQPNNXQDW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-2.48
Rot. Bonds

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

1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol (PubChem CID 2592) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
PubChem CID2592
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
SMILESOC1CN2CCC(O)C2C(O)C1O
InChIInChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2
InChIKeyJDVVGAQPNNXQDW-UHFFFAOYSA-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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Related Compounds

Swainsonine
CID 51683
Castanospermine
CID 54445
6-Epicastanospermine
CID 184806
Octahydroindolizine-1,2,8-triol
CID 5363
7-Deoxycastanospermine
CID 125391
(-)-uniflorine A
CID 9794258
uniflorine B
CID 46879415
(1R,2S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 11084361
Tocris-0759
CID 6604755
(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol
CID 122191253
1,6,7,8-Indolizinetetrol, octahydro-, (1R-(1alpha,6alpha,7alpha,8beta,8abeta))-
CID 451989
6,7-Diepicastanospermine
CID 24916955

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol (CID 2592) is 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol is OC1CN2CCC(O)C2C(O)C1O.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol?
The InChIKey is JDVVGAQPNNXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol?
1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-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 1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol is sourced from PubChem (CID 2592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).