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

C8H15NO4 — CID 143167608

IUPAC(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
SMILESOC1CN2CC[C@@H](O)[C@H](O)[C@H]2[C@H]1O
InChIInChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)8(13)6(9)7(4)12/h4-8,10-13H,1-3H2/t4-,5?,6+,7+,8+/m1/s1
InChIKeyCEJFEMNDBLIDFB-WUPHUCJWSA-N
MW189.21 g/mol
LogP-2.48
Rot. Bonds

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

(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol (PubChem CID 143167608) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol.

Molecular Properties

Compound Name(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
PubChem CID143167608
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
SMILESOC1CN2CC[C@@H](O)[C@H](O)[C@H]2[C@H]1O
InChIInChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)8(13)6(9)7(4)12/h4-8,10-13H,1-3H2/t4-,5?,6+,7+,8+/m1/s1
InChIKeyCEJFEMNDBLIDFB-WUPHUCJWSA-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

(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 85195122
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10845389
(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 71763389
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 14636219
(1S)-6,7-dibromo-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 67722090

Frequently Asked Questions

What is the IUPAC name of (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol?
The IUPAC name of (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol (CID 143167608) is (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol.
What is the SMILES notation for (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol?
The canonical SMILES for (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol is OC1CN2CC[C@@H](O)[C@H](O)[C@H]2[C@H]1O.
What is the InChIKey of (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol?
The InChIKey is CEJFEMNDBLIDFB-WUPHUCJWSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)8(13)6(9)7(4)12/h4-8,10-13H,1-3H2/t4-,5?,6+,7+,8+/m1/s1.
What are the key properties of (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol?
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-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 (1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol is sourced from PubChem (CID 143167608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).