(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

C25H34O6Si — CID 134840687

IUPAC(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)OC2C(O1)[C@](O)(CO)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O6Si/c1-23(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20-21-22(25(27,17-26)29-20)31-24(4,5)30-21/h6-15,20-22,26-27H,16-17H2,1-5H3/t20-,21?,22?,25+/m1/s1
InChIKeyHRNITNVHRVHNNQ-RYTZBHFQSA-N
MW458.63 g/mol
LogP2.16
Rot. Bonds6

About (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 134840687) has the molecular formula C25H34O6Si and a molecular weight of 458.63 g/mol. Its IUPAC name is (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID134840687
Molecular FormulaC25H34O6Si
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC Name(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)OC2C(O1)[C@](O)(CO)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O6Si/c1-23(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20-21-22(25(27,17-26)29-20)31-24(4,5)30-21/h6-15,20-22,26-27H,16-17H2,1-5H3/t20-,21?,22?,25+/m1/s1
InChIKeyHRNITNVHRVHNNQ-RYTZBHFQSA-N
XLogP2.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-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 (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (CID 134840687) is (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)OC2C(O1)[C@](O)(CO)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is HRNITNVHRVHNNQ-RYTZBHFQSA-N. The full InChI is InChI=1S/C25H34O6Si/c1-23(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-16-20-21-22(25(27,17-26)29-20)31-24(4,5)30-21/h6-15,20-22,26-27H,16-17H2,1-5H3/t20-,21?,22?,25+/m1/s1.
What are the key properties of (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
(4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 458.63 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 134840687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).