(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol

C23H32O5Si — CID 11452775

IUPAC(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H]([C@H](O)CO)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O5Si/c1-23(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-22-19(25)14-21(28-22)20(26)15-24/h4-13,19-22,24-26H,14-16H2,1-3H3/t19-,20+,21-,22+/m0/s1
InChIKeyBIJBSKOWVCLGFZ-LNRXMEIDSA-N
MW416.59 g/mol
LogP1.43
Rot. Bonds7

About (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 11452775) has the molecular formula C23H32O5Si and a molecular weight of 416.59 g/mol. Its IUPAC name is (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
PubChem CID11452775
Molecular FormulaC23H32O5Si
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H]([C@H](O)CO)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O5Si/c1-23(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-22-19(25)14-21(28-22)20(26)15-24/h4-13,19-22,24-26H,14-16H2,1-3H3/t19-,20+,21-,22+/m0/s1
InChIKeyBIJBSKOWVCLGFZ-LNRXMEIDSA-N
XLogP1.43
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1S)-1-[(3aR,7aS)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]ethanol
CID 135010313
(1S)-1-[(1R,3R,4aR,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-1-yl]ethane-1,2-diol
CID 122396895
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 132938512
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol (CID 11452775) is (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol is CC(C)(C)[Si](OC[C@H]1O[C@H]([C@H](O)CO)C[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is BIJBSKOWVCLGFZ-LNRXMEIDSA-N. The full InChI is InChI=1S/C23H32O5Si/c1-23(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-22-19(25)14-21(28-22)20(26)15-24/h4-13,19-22,24-26H,14-16H2,1-3H3/t19-,20+,21-,22+/m0/s1.
What are the key properties of (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 416.59 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11452775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).