methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate

C17H32O7Si — CID 10499788

IUPACmethyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O7Si/c1-16(2,3)25(7,8)24-13-11(18)12(22-14(13)15(19)20-6)10-9-21-17(4,5)23-10/h10-14,18H,9H2,1-8H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyZIKIXEXIGHCKKS-XVIXHAIJSA-N
MW376.52 g/mol
LogP1.83
Rot. Bonds4

About methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate

methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate (PubChem CID 10499788) has the molecular formula C17H32O7Si and a molecular weight of 376.52 g/mol. Its IUPAC name is methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate
PubChem CID10499788
Molecular FormulaC17H32O7Si
Molecular Weight376.52 g/mol
Exact Mass376.19
IUPAC Namemethyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O7Si/c1-16(2,3)25(7,8)24-13-11(18)12(22-14(13)15(19)20-6)10-9-21-17(4,5)23-10/h10-14,18H,9H2,1-8H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyZIKIXEXIGHCKKS-XVIXHAIJSA-N
XLogP1.83
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate with MolForge

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Related Compounds

(3aS,6R,6aS)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 14106432
(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 173787690
methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
diethyl (2S,3S,4S,5S,6S,7S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctanedioate
CID 14737948
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypentan-1-one
CID 21600674
ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate
CID 23629194
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
Sodium (S)-4-((3aR,5R,6S,6aR)-2,2-dimethyl-6-(((2-(trimethylsilyl)ethoxy)carbonyl)oxy)tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-4-hydroxy-2-oxobutanoate
CID 44511277
(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one
CID 46180492
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate?
The IUPAC name of methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate (CID 10499788) is methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate is COC(=O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate?
The InChIKey is ZIKIXEXIGHCKKS-XVIXHAIJSA-N. The full InChI is InChI=1S/C17H32O7Si/c1-16(2,3)25(7,8)24-13-11(18)12(22-14(13)15(19)20-6)10-9-21-17(4,5)23-10/h10-14,18H,9H2,1-8H3/t10-,11+,12-,13-,14-/m1/s1.
What are the key properties of methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate?
methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate has a molecular weight of 376.52 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2-carboxylate is sourced from PubChem (CID 10499788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).