(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid

C17H30O10Si — CID 10502344

IUPAC(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid
SMILESCC1(C)O[C@H](COCOCC[Si](C)(C)C)[C@]2(O1)C(=O)O[C@H](CO)[C@@]2(O)C(=O)O
InChIInChI=1S/C17H30O10Si/c1-15(2)26-12(9-24-10-23-6-7-28(3,4)5)17(27-15)14(21)25-11(8-18)16(17,22)13(19)20/h11-12,18,22H,6-10H2,1-5H3,(H,19,20)/t11-,12-,16-,17+/m1/s1
InChIKeyDFVGFJCIQSXXMW-SKNMWMDOSA-N
MW422.50 g/mol
LogP-0.06
Rot. Bonds9

About (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid

(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid (PubChem CID 10502344) has the molecular formula C17H30O10Si and a molecular weight of 422.50 g/mol. Its IUPAC name is (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid.

Molecular Properties

Compound Name(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid
PubChem CID10502344
Molecular FormulaC17H30O10Si
Molecular Weight422.50 g/mol
Exact Mass422.16
IUPAC Name(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid
SMILESCC1(C)O[C@H](COCOCC[Si](C)(C)C)[C@]2(O1)C(=O)O[C@H](CO)[C@@]2(O)C(=O)O
InChIInChI=1S/C17H30O10Si/c1-15(2)26-12(9-24-10-23-6-7-28(3,4)5)17(27-15)14(21)25-11(8-18)16(17,22)13(19)20/h11-12,18,22H,6-10H2,1-5H3,(H,19,20)/t11-,12-,16-,17+/m1/s1
InChIKeyDFVGFJCIQSXXMW-SKNMWMDOSA-N
XLogP-0.06
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid 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 (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid?
The IUPAC name of (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid (CID 10502344) is (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid.
What is the SMILES notation for (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid?
The canonical SMILES for (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid is CC1(C)O[C@H](COCOCC[Si](C)(C)C)[C@]2(O1)C(=O)O[C@H](CO)[C@@]2(O)C(=O)O.
What is the InChIKey of (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid?
The InChIKey is DFVGFJCIQSXXMW-SKNMWMDOSA-N. The full InChI is InChI=1S/C17H30O10Si/c1-15(2)26-12(9-24-10-23-6-7-28(3,4)5)17(27-15)14(21)25-11(8-18)16(17,22)13(19)20/h11-12,18,22H,6-10H2,1-5H3,(H,19,20)/t11-,12-,16-,17+/m1/s1.
What are the key properties of (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid?
(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid has a molecular weight of 422.50 g/mol, XLogP of -0.06, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid is sourced from PubChem (CID 10502344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).