(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol

C23H36O7Si — CID 166177102

IUPAC(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@H]2C=Cc3ccccc3[C@@H]2O)[C@H]1O
InChIInChI=1S/C23H36O7Si/c1-23(2,3)31(5,6)28-13-17-19(25)21(20(26)22(27-4)30-17)29-16-12-11-14-9-7-8-10-15(14)18(16)24/h7-12,16-22,24-26H,13H2,1-6H3/t16-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKeyBCCMYJYCCMZQNJ-UIZIODFASA-N
MW452.62 g/mol
LogP2.62
Rot. Bonds6

About (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol (PubChem CID 166177102) has the molecular formula C23H36O7Si and a molecular weight of 452.62 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol
PubChem CID166177102
Molecular FormulaC23H36O7Si
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Name(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@H]2C=Cc3ccccc3[C@@H]2O)[C@H]1O
InChIInChI=1S/C23H36O7Si/c1-23(2,3)31(5,6)28-13-17-19(25)21(20(26)22(27-4)30-17)29-16-12-11-14-9-7-8-10-15(14)18(16)24/h7-12,16-22,24-26H,13H2,1-6H3/t16-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKeyBCCMYJYCCMZQNJ-UIZIODFASA-N
XLogP2.62
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
CID 174923210
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
[(3R,6S)-3,4,5-triacetyloxy-6-[(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 134837855
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-6-(4-nitrophenoxy)oxane-3,5-diol
CID 54150328
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol (CID 166177102) is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@H]2C=Cc3ccccc3[C@@H]2O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol?
The InChIKey is BCCMYJYCCMZQNJ-UIZIODFASA-N. The full InChI is InChI=1S/C23H36O7Si/c1-23(2,3)31(5,6)28-13-17-19(25)21(20(26)22(27-4)30-17)29-16-12-11-14-9-7-8-10-15(14)18(16)24/h7-12,16-22,24-26H,13H2,1-6H3/t16-,17+,18-,19-,20+,21-,22-/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol?
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol has a molecular weight of 452.62 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 166177102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).