[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol

C28H54O8Si — CID 11060650

IUPAC[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol
SMILESCC1(C)O[C@H](C[C@@H]2C[C@H](CO)OC(C)(C)O2)C[C@@H](C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C28H54O8Si/c1-25(2,3)37(10,11)30-18-24-16-22(34-28(8,9)36-24)14-20-12-19(31-26(4,5)32-20)13-21-15-23(17-29)35-27(6,7)33-21/h19-24,29H,12-18H2,1-11H3/t19-,20-,21+,22+,23+,24+/m0/s1
InChIKeyBXXGGDXFLQQTCZ-ZJCHSKCTSA-N
MW546.82 g/mol
LogP5.51
Rot. Bonds8

About [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol

[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol (PubChem CID 11060650) has the molecular formula C28H54O8Si and a molecular weight of 546.82 g/mol. Its IUPAC name is [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol.

Molecular Properties

Compound Name[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol
PubChem CID11060650
Molecular FormulaC28H54O8Si
Molecular Weight546.82 g/mol
Exact Mass546.36
IUPAC Name[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol
SMILESCC1(C)O[C@H](C[C@@H]2C[C@H](CO)OC(C)(C)O2)C[C@@H](C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C28H54O8Si/c1-25(2,3)37(10,11)30-18-24-16-22(34-28(8,9)36-24)14-20-12-19(31-26(4,5)32-20)13-21-15-23(17-29)35-27(6,7)33-21/h19-24,29H,12-18H2,1-11H3/t19-,20-,21+,22+,23+,24+/m0/s1
InChIKeyBXXGGDXFLQQTCZ-ZJCHSKCTSA-N
XLogP5.51
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.82
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol?
The IUPAC name of [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol (CID 11060650) is [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol.
What is the SMILES notation for [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol?
The canonical SMILES for [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol is CC1(C)O[C@H](C[C@@H]2C[C@H](CO)OC(C)(C)O2)C[C@@H](C[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1.
What is the InChIKey of [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol?
The InChIKey is BXXGGDXFLQQTCZ-ZJCHSKCTSA-N. The full InChI is InChI=1S/C28H54O8Si/c1-25(2,3)37(10,11)30-18-24-16-22(34-28(8,9)36-24)14-20-12-19(31-26(4,5)32-20)13-21-15-23(17-29)35-27(6,7)33-21/h19-24,29H,12-18H2,1-11H3/t19-,20-,21+,22+,23+,24+/m0/s1.
What are the key properties of [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol?
[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol has a molecular weight of 546.82 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-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]methanol is sourced from PubChem (CID 11060650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).