(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal

C37H68O10Si — CID 11050781

IUPAC(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](C[C@H]2C[C@H](C[C@H]3C[C@H](C[C@H](C=O)OC4CCCCO4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C37H68O10Si/c1-25(24-40-48(11,12)34(2,3)4)32-22-30(46-37(9,10)47-32)20-28-18-26(42-35(5,6)44-28)17-27-19-29(45-36(7,8)43-27)21-31(23-38)41-33-15-13-14-16-39-33/h23,25-33H,13-22,24H2,1-12H3/t25-,26-,27-,28+,29+,30+,31+,32+,33?/m0/s1
InChIKeySYMXYGIMMBOSNQ-MGMWTRFNSA-N
MW701.03 g/mol
LogP7.66
Rot. Bonds13

About (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal

(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal (PubChem CID 11050781) has the molecular formula C37H68O10Si and a molecular weight of 701.03 g/mol. Its IUPAC name is (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal.

Molecular Properties

Compound Name(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal
PubChem CID11050781
Molecular FormulaC37H68O10Si
Molecular Weight701.03 g/mol
Exact Mass700.46
IUPAC Name(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](C[C@H]2C[C@H](C[C@H]3C[C@H](C[C@H](C=O)OC4CCCCO4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C37H68O10Si/c1-25(24-40-48(11,12)34(2,3)4)32-22-30(46-37(9,10)47-32)20-28-18-26(42-35(5,6)44-28)17-27-19-29(45-36(7,8)43-27)21-31(23-38)41-33-15-13-14-16-39-33/h23,25-33H,13-22,24H2,1-12H3/t25-,26-,27-,28+,29+,30+,31+,32+,33?/m0/s1
InChIKeySYMXYGIMMBOSNQ-MGMWTRFNSA-N
XLogP7.66
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.03
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal with MolForge

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Launch Full Analysis

Related Compounds

(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10897798

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal?
The IUPAC name of (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal (CID 11050781) is (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal.
What is the SMILES notation for (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal?
The canonical SMILES for (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](C[C@H]2C[C@H](C[C@H]3C[C@H](C[C@H](C=O)OC4CCCCO4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal?
The InChIKey is SYMXYGIMMBOSNQ-MGMWTRFNSA-N. The full InChI is InChI=1S/C37H68O10Si/c1-25(24-40-48(11,12)34(2,3)4)32-22-30(46-37(9,10)47-32)20-28-18-26(42-35(5,6)44-28)17-27-19-29(45-36(7,8)43-27)21-31(23-38)41-33-15-13-14-16-39-33/h23,25-33H,13-22,24H2,1-12H3/t25-,26-,27-,28+,29+,30+,31+,32+,33?/m0/s1.
What are the key properties of (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal?
(2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal has a molecular weight of 701.03 g/mol, XLogP of 7.66, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(4R,6S)-6-[[(4R,6R)-6-[[(4R,6R)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(oxan-2-yloxy)propanal is sourced from PubChem (CID 11050781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).