(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

C37H68O10Si — CID 10897798

IUPAC(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
SMILESC[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C[C@H]1C[C@@H](C[C@@H]2C[C@@H](C[C@@H]3C[C@H](C=O)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C37H68O10Si/c1-24-31(15-16-39-48(13,14)33(2,3)4)46-37(11,12)47-32(24)22-29-20-27(42-35(7,8)44-29)18-25-17-26(41-34(5,6)40-25)19-28-21-30(23-38)45-36(9,10)43-28/h23-32H,15-22H2,1-14H3/t24-,25-,26-,27+,28+,29+,30+,31-,32+/m0/s1
InChIKeyMGSIDGDPMVVPMA-XGLMBSCNSA-N
MW701.03 g/mol
LogP7.65
Rot. Bonds11

About (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

(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 (PubChem CID 10897798) has the molecular formula C37H68O10Si and a molecular weight of 701.03 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10897798
Molecular FormulaC37H68O10Si
Molecular Weight701.03 g/mol
Exact Mass700.46
IUPAC Name(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
SMILESC[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C[C@H]1C[C@@H](C[C@@H]2C[C@@H](C[C@@H]3C[C@H](C=O)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C37H68O10Si/c1-24-31(15-16-39-48(13,14)33(2,3)4)46-37(11,12)47-32(24)22-29-20-27(42-35(7,8)44-29)18-25-17-26(41-34(5,6)40-25)19-28-21-30(23-38)45-36(9,10)43-28/h23-32H,15-22H2,1-14H3/t24-,25-,26-,27+,28+,29+,30+,31-,32+/m0/s1
InChIKeyMGSIDGDPMVVPMA-XGLMBSCNSA-N
XLogP7.65
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.03
LogP ≤ 57.65
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 (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 with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
CID 21246038
1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]ethanone
CID 11017019
(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
(4S,6R,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-1,7-dioxaspiro[5.5]undecan-3-one
CID 11727200
(3S,4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylheptanal
CID 102447026

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C[C@H]1C[C@@H](C[C@@H]2C[C@@H](C[C@@H]3C[C@H](C=O)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is MGSIDGDPMVVPMA-XGLMBSCNSA-N. The full InChI is InChI=1S/C37H68O10Si/c1-24-31(15-16-39-48(13,14)33(2,3)4)46-37(11,12)47-32(24)22-29-20-27(42-35(7,8)44-29)18-25-17-26(41-34(5,6)40-25)19-28-21-30(23-38)45-36(9,10)43-28/h23-32H,15-22H2,1-14H3/t24-,25-,26-,27+,28+,29+,30+,31-,32+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 701.03 g/mol, XLogP of 7.65, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10897798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).