(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol

C19H42O5Si2 — CID 134971375

IUPAC(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
SMILESCO[C@H]1OC(C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-13-14(20)15(23-25(9,10)18(2,3)4)16(17(21-8)22-13)24-26(11,12)19(5,6)7/h13-17,20H,1-12H3/t13?,14-,15?,16?,17+/m1/s1
InChIKeyPXKJVNCZZJXHKH-CQUJLFGMSA-N
MW406.71 g/mol
LogP4.52
Rot. Bonds5

About (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol

(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol (PubChem CID 134971375) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
PubChem CID134971375
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Name(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
SMILESCO[C@H]1OC(C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-13-14(20)15(23-25(9,10)18(2,3)4)16(17(21-8)22-13)24-26(11,12)19(5,6)7/h13-17,20H,1-12H3/t13?,14-,15?,16?,17+/m1/s1
InChIKeyPXKJVNCZZJXHKH-CQUJLFGMSA-N
XLogP4.52
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 11465404
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 11677769
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 56956840
[(2R,3R,4R,5R)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 67152952
(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 139084048
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol?
The IUPAC name of (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol (CID 134971375) is (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol?
The canonical SMILES for (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol is CO[C@H]1OC(C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol?
The InChIKey is PXKJVNCZZJXHKH-CQUJLFGMSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-13-14(20)15(23-25(9,10)18(2,3)4)16(17(21-8)22-13)24-26(11,12)19(5,6)7/h13-17,20H,1-12H3/t13?,14-,15?,16?,17+/m1/s1.
What are the key properties of (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol?
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol has a molecular weight of 406.71 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 134971375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).