(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one

C20H34O8Si — CID 10502767

IUPAC(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one
SMILESCC1(C)C(=O)[C@H]2OCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]1C[C@H]1COC(=O)O1
InChIInChI=1S/C20H34O8Si/c1-19(2,3)29(6,7)26-10-13-15-16(25-11-24-13)17(21)20(4,5)14(28-15)8-12-9-23-18(22)27-12/h12-16H,8-11H2,1-7H3/t12-,13+,14+,15+,16-/m0/s1
InChIKeyRZTDLUBWEYMFRP-GCSSGZNBSA-N
MW430.57 g/mol
LogP3.04
Rot. Bonds5

About (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one

(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one (PubChem CID 10502767) has the molecular formula C20H34O8Si and a molecular weight of 430.57 g/mol. Its IUPAC name is (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one.

Molecular Properties

Compound Name(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one
PubChem CID10502767
Molecular FormulaC20H34O8Si
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one
SMILESCC1(C)C(=O)[C@H]2OCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]1C[C@H]1COC(=O)O1
InChIInChI=1S/C20H34O8Si/c1-19(2,3)29(6,7)26-10-13-15-16(25-11-24-13)17(21)20(4,5)14(28-15)8-12-9-23-18(22)27-12/h12-16H,8-11H2,1-7H3/t12-,13+,14+,15+,16-/m0/s1
InChIKeyRZTDLUBWEYMFRP-GCSSGZNBSA-N
XLogP3.04
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

(4R,4aS,6R,8S,8aR)-6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-4-carboxylic acid
CID 11048613
(4S,4aS,6R,8S,8aR)-6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-4-carboxylic acid
CID 11059392
methyl (4R,4aS,6R,8S,8aR)-6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-4-carboxylate
CID 11059626
methyl (4S,4aS,6R,8S,8aR)-6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-4-carboxylate
CID 11070615

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one?
The IUPAC name of (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one (CID 10502767) is (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one.
What is the SMILES notation for (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one?
The canonical SMILES for (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one is CC1(C)C(=O)[C@H]2OCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]1C[C@H]1COC(=O)O1.
What is the InChIKey of (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one?
The InChIKey is RZTDLUBWEYMFRP-GCSSGZNBSA-N. The full InChI is InChI=1S/C20H34O8Si/c1-19(2,3)29(6,7)26-10-13-15-16(25-11-24-13)17(21)20(4,5)14(28-15)8-12-9-23-18(22)27-12/h12-16H,8-11H2,1-7H3/t12-,13+,14+,15+,16-/m0/s1.
What are the key properties of (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one?
(4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one has a molecular weight of 430.57 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,6R,8aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7,7-dimethyl-6-[[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl]-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-one is sourced from PubChem (CID 10502767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).