methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C22H44O7Si2 — CID 10696141

IUPACmethyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILES[2H]C(=O)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]1([2H])OC(C)(C)O[C@@]1([2H])C(=O)OC
InChIInChI=1S/C22H44O7Si2/c1-20(2,3)30(10,11)28-15(14-23)16(29-31(12,13)21(4,5)6)17-18(19(24)25-9)27-22(7,8)26-17/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1/i14D,15D,16D,17D,18D
InChIKeyOBUOIPSVJHDJPH-LQJIOBFASA-N
MW481.79 g/mol
LogP4.66
Rot. Bonds8

About methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate

methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 10696141) has the molecular formula C22H44O7Si2 and a molecular weight of 481.79 g/mol. Its IUPAC name is methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID10696141
Molecular FormulaC22H44O7Si2
Molecular Weight481.79 g/mol
Exact Mass481.29
IUPAC Namemethyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILES[2H]C(=O)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]1([2H])OC(C)(C)O[C@@]1([2H])C(=O)OC
InChIInChI=1S/C22H44O7Si2/c1-20(2,3)30(10,11)28-15(14-23)16(29-31(12,13)21(4,5)6)17-18(19(24)25-9)27-22(7,8)26-17/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1/i14D,15D,16D,17D,18D
InChIKeyOBUOIPSVJHDJPH-LQJIOBFASA-N
XLogP4.66
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.79
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(3aR,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 11174537
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
Methyl glucuronide, TMS
CID 609395
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 10696141) is methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate is [2H]C(=O)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]([2H])(O[Si](C)(C)C(C)(C)C)[C@@]1([2H])OC(C)(C)O[C@@]1([2H])C(=O)OC.
What is the InChIKey of methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is OBUOIPSVJHDJPH-LQJIOBFASA-N. The full InChI is InChI=1S/C22H44O7Si2/c1-20(2,3)30(10,11)28-15(14-23)16(29-31(12,13)21(4,5)6)17-18(19(24)25-9)27-22(7,8)26-17/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1/i14D,15D,16D,17D,18D.
What are the key properties of methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 481.79 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10696141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).