(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid

C16H32O7Si — CID 71723238

IUPAC(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
SMILESCO[C@H](C(=O)O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O7Si/c1-15(2,3)24(7,8)21-9-10-12(23-16(4,5)22-10)11(17)13(20-6)14(18)19/h10-13,17H,9H2,1-8H3,(H,18,19)/t10-,11-,12+,13+/m1/s1
InChIKeyGVCGBWOPVYKJLO-NDBYEHHHSA-N
MW364.51 g/mol
LogP1.99
Rot. Bonds7

About (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid

(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid (PubChem CID 71723238) has the molecular formula C16H32O7Si and a molecular weight of 364.51 g/mol. Its IUPAC name is (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
PubChem CID71723238
Molecular FormulaC16H32O7Si
Molecular Weight364.51 g/mol
Exact Mass364.19
IUPAC Name(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid
SMILESCO[C@H](C(=O)O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O7Si/c1-15(2,3)24(7,8)21-9-10-12(23-16(4,5)22-10)11(17)13(20-6)14(18)19/h10-13,17H,9H2,1-8H3,(H,18,19)/t10-,11-,12+,13+/m1/s1
InChIKeyGVCGBWOPVYKJLO-NDBYEHHHSA-N
XLogP1.99
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
methyl (4S,5S)-5-[(1R,2S)-3-fluorooxy-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 68119793
(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
ethyl (4S,5R)-5-[(1S,2S)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11615737
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
(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,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
ethyl (2S,3S)-2,3-dihydroxy-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
CID 102207629

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The IUPAC name of (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid (CID 71723238) is (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid.
What is the SMILES notation for (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The canonical SMILES for (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid is CO[C@H](C(=O)O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
The InChIKey is GVCGBWOPVYKJLO-NDBYEHHHSA-N. The full InChI is InChI=1S/C16H32O7Si/c1-15(2,3)24(7,8)21-9-10-12(23-16(4,5)22-10)11(17)13(20-6)14(18)19/h10-13,17H,9H2,1-8H3,(H,18,19)/t10-,11-,12+,13+/m1/s1.
What are the key properties of (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid?
(2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid has a molecular weight of 364.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxypropanoic acid is sourced from PubChem (CID 71723238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).