(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol

C29H42O6Si — CID 67334635

IUPAC(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol
SMILESCC1(C)OCC(C[C@@H]2CC[C@@](O)(CO)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C29H42O6Si/c1-27(2,3)36(24-12-8-6-9-13-24,25-14-10-7-11-15-25)33-20-26-29(31,21-30)17-16-22(34-26)18-23-19-32-28(4,5)35-23/h6-15,22-23,26,30-31H,16-21H2,1-5H3/t22-,23?,26+,29+/m0/s1
InChIKeyKVQGOVZAKKDMSB-VTMLTGMJSA-N
MW514.74 g/mol
LogP3.38
Rot. Bonds8

About (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol

(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol (PubChem CID 67334635) has the molecular formula C29H42O6Si and a molecular weight of 514.74 g/mol. Its IUPAC name is (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol
PubChem CID67334635
Molecular FormulaC29H42O6Si
Molecular Weight514.74 g/mol
Exact Mass514.28
IUPAC Name(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol
SMILESCC1(C)OCC(C[C@@H]2CC[C@@](O)(CO)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C29H42O6Si/c1-27(2,3)36(24-12-8-6-9-13-24,25-14-10-7-11-15-25)33-20-26-29(31,21-30)17-16-22(34-26)18-23-19-32-28(4,5)35-23/h6-15,22-23,26,30-31H,16-21H2,1-5H3/t22-,23?,26+,29+/m0/s1
InChIKeyKVQGOVZAKKDMSB-VTMLTGMJSA-N
XLogP3.38
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.74
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol (CID 67334635) is (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol is CC1(C)OCC(C[C@@H]2CC[C@@](O)(CO)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.
What is the InChIKey of (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol?
The InChIKey is KVQGOVZAKKDMSB-VTMLTGMJSA-N. The full InChI is InChI=1S/C29H42O6Si/c1-27(2,3)36(24-12-8-6-9-13-24,25-14-10-7-11-15-25)33-20-26-29(31,21-30)17-16-22(34-26)18-23-19-32-28(4,5)35-23/h6-15,22-23,26,30-31H,16-21H2,1-5H3/t22-,23?,26+,29+/m0/s1.
What are the key properties of (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol?
(2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol has a molecular weight of 514.74 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 67334635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).