(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde

C30H42O6Si — CID 25197880

IUPAC(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C=O
InChIInChI=1S/C30H42O6Si/c1-30(2,3)37(4,5)36-27-17-26-25(34-28(27)18-31)16-24(33-20-23-14-10-7-11-15-23)29(35-26)21-32-19-22-12-8-6-9-13-22/h6-15,18,24-29H,16-17,19-21H2,1-5H3/t24-,25+,26-,27+,28-,29+/m0/s1
InChIKeyDUSCYRDOWUZGRD-IRXUJKQFSA-N
MW526.75 g/mol
LogP5.69
Rot. Bonds10

About (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde

(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde (PubChem CID 25197880) has the molecular formula C30H42O6Si and a molecular weight of 526.75 g/mol. Its IUPAC name is (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde
PubChem CID25197880
Molecular FormulaC30H42O6Si
Molecular Weight526.75 g/mol
Exact Mass526.28
IUPAC Name(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C=O
InChIInChI=1S/C30H42O6Si/c1-30(2,3)37(4,5)36-27-17-26-25(34-28(27)18-31)16-24(33-20-23-14-10-7-11-15-23)29(35-26)21-32-19-22-12-8-6-9-13-22/h6-15,18,24-29H,16-17,19-21H2,1-5H3/t24-,25+,26-,27+,28-,29+/m0/s1
InChIKeyDUSCYRDOWUZGRD-IRXUJKQFSA-N
XLogP5.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde 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 (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde?
The IUPAC name of (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde (CID 25197880) is (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde?
The canonical SMILES for (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C[C@H]2O[C@H]1C=O.
What is the InChIKey of (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde?
The InChIKey is DUSCYRDOWUZGRD-IRXUJKQFSA-N. The full InChI is InChI=1S/C30H42O6Si/c1-30(2,3)37(4,5)36-27-17-26-25(34-28(27)18-31)16-24(33-20-23-14-10-7-11-15-23)29(35-26)21-32-19-22-12-8-6-9-13-22/h6-15,18,24-29H,16-17,19-21H2,1-5H3/t24-,25+,26-,27+,28-,29+/m0/s1.
What are the key properties of (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde?
(2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde has a molecular weight of 526.75 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-carbaldehyde is sourced from PubChem (CID 25197880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).