(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol

C23H32O5Si — CID 90305083

IUPAC(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1OC(CO)(CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C23H32O5Si/c1-17-20(26)21(23(15-24,16-25)27-17)28-29(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,24-26H,15-16H2,1-4H3/t17-,20+,21-/m0/s1
InChIKeyXUICJRBKDDWLAF-WMQCIHAUSA-N
MW416.59 g/mol
LogP1.43
Rot. Bonds6

About (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol

(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 90305083) has the molecular formula C23H32O5Si and a molecular weight of 416.59 g/mol. Its IUPAC name is (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID90305083
Molecular FormulaC23H32O5Si
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@@H]1OC(CO)(CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C23H32O5Si/c1-17-20(26)21(23(15-24,16-25)27-17)28-29(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,24-26H,15-16H2,1-4H3/t17-,20+,21-/m0/s1
InChIKeyXUICJRBKDDWLAF-WMQCIHAUSA-N
XLogP1.43
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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

(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one
CID 102370001
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol (CID 90305083) is (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol is C[C@@H]1OC(CO)(CO)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is XUICJRBKDDWLAF-WMQCIHAUSA-N. The full InChI is InChI=1S/C23H32O5Si/c1-17-20(26)21(23(15-24,16-25)27-17)28-29(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,24-26H,15-16H2,1-4H3/t17-,20+,21-/m0/s1.
What are the key properties of (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 416.59 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 90305083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).