(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol

C9H17NO5 — CID 24778343

IUPAC(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol
SMILESC[C@]1(O)CN2C[C@H](O)[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c1-9(15)3-10-2-4(11)6(12)5(10)7(13)8(9)14/h4-8,11-15H,2-3H2,1H3/t4-,5+,6-,7+,8-,9-/m0/s1
InChIKeyXWLSKUDERJALSC-WEHQQBAWSA-N
MW219.24 g/mol
LogP-3.12
Rot. Bonds

About (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol

(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol (PubChem CID 24778343) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol.

Molecular Properties

Compound Name(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol
PubChem CID24778343
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol
SMILESC[C@]1(O)CN2C[C@H](O)[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c1-9(15)3-10-2-4(11)6(12)5(10)7(13)8(9)14/h4-8,11-15H,2-3H2,1H3/t4-,5+,6-,7+,8-,9-/m0/s1
InChIKeyXWLSKUDERJALSC-WEHQQBAWSA-N
XLogP-3.12
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-3.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol?
The IUPAC name of (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol (CID 24778343) is (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol.
What is the SMILES notation for (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol?
The canonical SMILES for (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol is C[C@]1(O)CN2C[C@H](O)[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol?
The InChIKey is XWLSKUDERJALSC-WEHQQBAWSA-N. The full InChI is InChI=1S/C9H17NO5/c1-9(15)3-10-2-4(11)6(12)5(10)7(13)8(9)14/h4-8,11-15H,2-3H2,1H3/t4-,5+,6-,7+,8-,9-/m0/s1.
What are the key properties of (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol?
(1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol has a molecular weight of 219.24 g/mol, XLogP of -3.12, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S,8R,8aR)-6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-1,2,6,7,8-pentol is sourced from PubChem (CID 24778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).