tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate

C24H48O7Si — CID 10480131

IUPACtert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate
SMILESCOC[C@H](C)[C@@H]1O[C@@](O)([C@H](C)C(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H48O7Si/c1-15(14-27-10)18-16(2)19(31-32(12,13)23(7,8)9)20(28-11)24(26,29-18)17(3)21(25)30-22(4,5)6/h15-20,26H,14H2,1-13H3/t15-,16+,17+,18-,19-,20+,24-/m0/s1
InChIKeyMNZGLZSKMDEEMZ-UCWFTKCMSA-N
MW476.73 g/mol
LogP4.38
Rot. Bonds8

About tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate

tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate (PubChem CID 10480131) has the molecular formula C24H48O7Si and a molecular weight of 476.73 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate
PubChem CID10480131
Molecular FormulaC24H48O7Si
Molecular Weight476.73 g/mol
Exact Mass476.32
IUPAC Nametert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate
SMILESCOC[C@H](C)[C@@H]1O[C@@](O)([C@H](C)C(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H48O7Si/c1-15(14-27-10)18-16(2)19(31-32(12,13)23(7,8)9)20(28-11)24(26,29-18)17(3)21(25)30-22(4,5)6/h15-20,26H,14H2,1-13H3/t15-,16+,17+,18-,19-,20+,24-/m0/s1
InChIKeyMNZGLZSKMDEEMZ-UCWFTKCMSA-N
XLogP4.38
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.73
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 170990578
ethyl 3-fluoro-2-[(3R,4S,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)-2-hydroxyoxan-2-yl]propanoate
CID 71088529
ethyl (2S)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11353518
ethyl (2R)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11753319
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2-[(2S,3S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-3-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate (CID 10480131) is tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate is COC[C@H](C)[C@@H]1O[C@@](O)([C@H](C)C(=O)OC(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate?
The InChIKey is MNZGLZSKMDEEMZ-UCWFTKCMSA-N. The full InChI is InChI=1S/C24H48O7Si/c1-15(14-27-10)18-16(2)19(31-32(12,13)23(7,8)9)20(28-11)24(26,29-18)17(3)21(25)30-22(4,5)6/h15-20,26H,14H2,1-13H3/t15-,16+,17+,18-,19-,20+,24-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate?
tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate has a molecular weight of 476.73 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S,3R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-3-methoxy-6-[(2S)-1-methoxypropan-2-yl]-5-methyloxan-2-yl]propanoate is sourced from PubChem (CID 10480131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).