(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one

C12H22O6Si — CID 58761097

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C12H22O6Si/c1-12(2,3)19(4,5)18-10-8(15)9(7(14)6-13)17-11(10)16/h7,9,13-15H,6H2,1-5H3/t7-,9+/m0/s1
InChIKeyRABPFXILDFPNCO-IONNQARKSA-N
MW290.39 g/mol
LogP1.06
Rot. Bonds4

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one (PubChem CID 58761097) has the molecular formula C12H22O6Si and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
PubChem CID58761097
Molecular FormulaC12H22O6Si
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C12H22O6Si/c1-12(2,3)19(4,5)18-10-8(15)9(7(14)6-13)17-11(10)16/h7,9,13-15H,6H2,1-5H3/t7-,9+/m0/s1
InChIKeyRABPFXILDFPNCO-IONNQARKSA-N
XLogP1.06
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one with MolForge

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Related Compounds

3-O-Ethylascorbic acid
CID 150736
Methylsilanol ascorbate
CID 71587606
2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
CID 3614716
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 54728363
L-Ascorbic acid, 6-acetate
CID 54693469
Propanol ascorbate
CID 10798844
i-Propylidene ascorbic acid
CID 68975358
Ascorbic acid methanol
CID 90046246
(2S)-2-[(1R)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
CID 92136331
ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
CID 135024557
(2R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2H-furan-5-one
CID 135075701
Ascorbic acid, tetraTBDMS
CID 554022

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one (CID 58761097) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The InChIKey is RABPFXILDFPNCO-IONNQARKSA-N. The full InChI is InChI=1S/C12H22O6Si/c1-12(2,3)19(4,5)18-10-8(15)9(7(14)6-13)17-11(10)16/h7,9,13-15H,6H2,1-5H3/t7-,9+/m0/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one has a molecular weight of 290.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 58761097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).