tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C28H57NO8Si2 — CID 10817246

IUPACtert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)[C@@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO8Si2/c1-17-18(29(28(11,12)34-17)24(32)35-25(2,3)4)19(30)20-21(36-38(13,14)26(5,6)7)22(23(31)33-20)37-39(15,16)27(8,9)10/h17-23,30-31H,1-16H3/t17-,18+,19+,20-,21-,22+,23?/m0/s1
InChIKeyFFOGFEUERMKGRO-STYTYXEGSA-N
MW591.94 g/mol
LogP5.61
Rot. Bonds6

About tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10817246) has the molecular formula C28H57NO8Si2 and a molecular weight of 591.94 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10817246
Molecular FormulaC28H57NO8Si2
Molecular Weight591.94 g/mol
Exact Mass591.36
IUPAC Nametert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)[C@@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO8Si2/c1-17-18(29(28(11,12)34-17)24(32)35-25(2,3)4)19(30)20-21(36-38(13,14)26(5,6)7)22(23(31)33-20)37-39(15,16)27(8,9)10/h17-23,30-31H,1-16H3/t17-,18+,19+,20-,21-,22+,23?/m0/s1
InChIKeyFFOGFEUERMKGRO-STYTYXEGSA-N
XLogP5.61
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.94
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57385687
tert-butyl (3aS,6R,6aS)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 135028601
(1S,5R,6R,7R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-(hydroxymethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 164682218
(1R,5R,6R,7R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-(hydroxymethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 164682219
tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10624465
tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-hydroxypropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 11704969
tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11802227
tert-butyl (2R,3S,4R)-2-[(1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,4-dihydroxypyrrolidine-1-carboxylate
CID 46177822
tert-butyl (3aS,4R,6aR)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 53392642
tert-butyl (4S)-4-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 56963827
tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59053174
tert-butyl (3aS,5S,6R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-formyloxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 71817284

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 10817246) is tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)[C@@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FFOGFEUERMKGRO-STYTYXEGSA-N. The full InChI is InChI=1S/C28H57NO8Si2/c1-17-18(29(28(11,12)34-17)24(32)35-25(2,3)4)19(30)20-21(36-38(13,14)26(5,6)7)22(23(31)33-20)37-39(15,16)27(8,9)10/h17-23,30-31H,1-16H3/t17-,18+,19+,20-,21-,22+,23?/m0/s1.
What are the key properties of tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 591.94 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).