(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol

C17H36O7Si — CID 174034293

IUPAC(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol
SMILESCOC(C)(O)C(C)(OC)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C17H36O7Si/c1-15(2,3)25(8,9)24-14-10-13(12(18)11-22-14)23-17(5,21-7)16(4,19)20-6/h12-14,18-19H,10-11H2,1-9H3/t12-,13+,14?,16?,17?/m1/s1
InChIKeyXMFOFJMTNRJNGV-FPDFBPBRSA-N
MW380.55 g/mol
LogP2.22
Rot. Bonds7

About (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol

(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol (PubChem CID 174034293) has the molecular formula C17H36O7Si and a molecular weight of 380.55 g/mol. Its IUPAC name is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol
PubChem CID174034293
Molecular FormulaC17H36O7Si
Molecular Weight380.55 g/mol
Exact Mass380.22
IUPAC Name(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol
SMILESCOC(C)(O)C(C)(OC)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C17H36O7Si/c1-15(2,3)25(8,9)24-14-10-13(12(18)11-22-14)23-17(5,21-7)16(4,19)20-6/h12-14,18-19H,10-11H2,1-9H3/t12-,13+,14?,16?,17?/m1/s1
InChIKeyXMFOFJMTNRJNGV-FPDFBPBRSA-N
XLogP2.22
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol 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 (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol?
The IUPAC name of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol (CID 174034293) is (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol.
What is the SMILES notation for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol?
The canonical SMILES for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol is COC(C)(O)C(C)(OC)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)OC[C@H]1O.
What is the InChIKey of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol?
The InChIKey is XMFOFJMTNRJNGV-FPDFBPBRSA-N. The full InChI is InChI=1S/C17H36O7Si/c1-15(2,3)25(8,9)24-14-10-13(12(18)11-22-14)23-17(5,21-7)16(4,19)20-6/h12-14,18-19H,10-11H2,1-9H3/t12-,13+,14?,16?,17?/m1/s1.
What are the key properties of (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol?
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol has a molecular weight of 380.55 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxy-2,3-dimethoxybutan-2-yl)oxyoxan-3-ol is sourced from PubChem (CID 174034293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).