(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate

C10H17NO6 — CID 68641902

IUPAC(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
SMILESCC(=O)OCC1(O)C(O)CN2CC(O)C(O)C21
InChIInChI=1S/C10H17NO6/c1-5(12)17-4-10(16)7(14)3-11-2-6(13)8(15)9(10)11/h6-9,13-16H,2-4H2,1H3
InChIKeyLKOBLTKFBRYKDA-UHFFFAOYSA-N
MW247.25 g/mol
LogP-2.94
Rot. Bonds2

About (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate

(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate (PubChem CID 68641902) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate.

Molecular Properties

Compound Name(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
PubChem CID68641902
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
SMILESCC(=O)OCC1(O)C(O)CN2CC(O)C(O)C21
InChIInChI=1S/C10H17NO6/c1-5(12)17-4-10(16)7(14)3-11-2-6(13)8(15)9(10)11/h6-9,13-16H,2-4H2,1H3
InChIKeyLKOBLTKFBRYKDA-UHFFFAOYSA-N
XLogP-2.94
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-2.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate 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 (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate?
The IUPAC name of (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate (CID 68641902) is (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate.
What is the SMILES notation for (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate?
The canonical SMILES for (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate is CC(=O)OCC1(O)C(O)CN2CC(O)C(O)C21.
What is the InChIKey of (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate?
The InChIKey is LKOBLTKFBRYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-5(12)17-4-10(16)7(14)3-11-2-6(13)8(15)9(10)11/h6-9,13-16H,2-4H2,1H3.
What are the key properties of (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate?
(1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate has a molecular weight of 247.25 g/mol, XLogP of -2.94, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,6,7-tetrahydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate is sourced from PubChem (CID 68641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).