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

C9H17NO4 — CID 122191253

IUPAC(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol
SMILESOC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
InChIKeyVAJIQEORJZUVIB-UYXSQOIJSA-N
MW203.24 g/mol
LogP-2.09
Rot. Bonds1

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

(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol (PubChem CID 122191253) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol
PubChem CID122191253
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol
SMILESOC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
InChIKeyVAJIQEORJZUVIB-UYXSQOIJSA-N
XLogP-2.09
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol 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 (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol?
The IUPAC name of (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol (CID 122191253) is (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol.
What is the SMILES notation for (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol?
The canonical SMILES for (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol is OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O.
What is the InChIKey of (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol?
The InChIKey is VAJIQEORJZUVIB-UYXSQOIJSA-N. The full InChI is InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1.
What are the key properties of (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol?
(6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol has a molecular weight of 203.24 g/mol, XLogP of -2.09, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,8R,8aR)-8a-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine-6,7,8-triol is sourced from PubChem (CID 122191253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).