(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid

C12H26O6Si — CID 10708954

IUPAC(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)C[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)18-8(7-13)6-9(14)10(15)11(16)17/h8-10,13-15H,6-7H2,1-5H3,(H,16,17)/t8-,9-,10+/m0/s1
InChIKeyILVWAVHGKBPNKK-LPEHRKFASA-N
MW294.42 g/mol
LogP0.57
Rot. Bonds7

About (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid

(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid (PubChem CID 10708954) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid
PubChem CID10708954
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)C[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)18-8(7-13)6-9(14)10(15)11(16)17/h8-10,13-15H,6-7H2,1-5H3,(H,16,17)/t8-,9-,10+/m0/s1
InChIKeyILVWAVHGKBPNKK-LPEHRKFASA-N
XLogP0.57
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sodium mannuronate methylsilanol
CID 72941532
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
Trimethylsilyl glucose
CID 87323113
(2R,3S,4R,5R)-2,3,4,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyhexanoyl fluoride
CID 88477380
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711
(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
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
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
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid?
The IUPAC name of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid (CID 10708954) is (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid.
What is the SMILES notation for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid?
The canonical SMILES for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid is CC(C)(C)[Si](C)(C)O[C@H](CO)C[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid?
The InChIKey is ILVWAVHGKBPNKK-LPEHRKFASA-N. The full InChI is InChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)18-8(7-13)6-9(14)10(15)11(16)17/h8-10,13-15H,6-7H2,1-5H3,(H,16,17)/t8-,9-,10+/m0/s1.
What are the key properties of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid?
(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid has a molecular weight of 294.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-trihydroxyhexanoic acid is sourced from PubChem (CID 10708954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).