(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol

C28H34O5Si — CID 101473888

IUPAC(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)O[C@H](COCc2ccccc2)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O5Si/c1-28(2,3)34(22-15-9-5-10-16-22,23-17-11-6-12-18-23)33-26-25(29)24(32-27(26)30)20-31-19-21-13-7-4-8-14-21/h4-18,24-27,29-30H,19-20H2,1-3H3/t24-,25-,26+,27?/m1/s1
InChIKeyJTIJJTZMULDWIJ-WFZAHQNKSA-N
MW478.66 g/mol
LogP3.23
Rot. Bonds8

About (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol

(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol (PubChem CID 101473888) has the molecular formula C28H34O5Si and a molecular weight of 478.66 g/mol. Its IUPAC name is (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
PubChem CID101473888
Molecular FormulaC28H34O5Si
Molecular Weight478.66 g/mol
Exact Mass478.22
IUPAC Name(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)O[C@H](COCc2ccccc2)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O5Si/c1-28(2,3)34(22-15-9-5-10-16-22,23-17-11-6-12-18-23)33-26-25(29)24(32-27(26)30)20-31-19-21-13-7-4-8-14-21/h4-18,24-27,29-30H,19-20H2,1-3H3/t24-,25-,26+,27?/m1/s1
InChIKeyJTIJJTZMULDWIJ-WFZAHQNKSA-N
XLogP3.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol?
The IUPAC name of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol (CID 101473888) is (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol?
The canonical SMILES for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol is CC(C)(C)[Si](O[C@@H]1C(O)O[C@H](COCc2ccccc2)[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol?
The InChIKey is JTIJJTZMULDWIJ-WFZAHQNKSA-N. The full InChI is InChI=1S/C28H34O5Si/c1-28(2,3)34(22-15-9-5-10-16-22,23-17-11-6-12-18-23)33-26-25(29)24(32-27(26)30)20-31-19-21-13-7-4-8-14-21/h4-18,24-27,29-30H,19-20H2,1-3H3/t24-,25-,26+,27?/m1/s1.
What are the key properties of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol?
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol has a molecular weight of 478.66 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 101473888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).