(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol

C21H42O7Si — CID 10982949

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol
SMILESC=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O7Si/c1-11-12-15(16(13-22)28-29(9,10)21(3,4)5)27-20-19(25-8)18(24-7)17(23-6)14(2)26-20/h11,14-20,22H,1,12-13H2,2-10H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKeyYVTAABQZSKSHOY-JHQBWLJPSA-N
MW434.65 g/mol
LogP3.12
Rot. Bonds11

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol (PubChem CID 10982949) has the molecular formula C21H42O7Si and a molecular weight of 434.65 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol
PubChem CID10982949
Molecular FormulaC21H42O7Si
Molecular Weight434.65 g/mol
Exact Mass434.27
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol
SMILESC=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O7Si/c1-11-12-15(16(13-22)28-29(9,10)21(3,4)5)27-20-19(25-8)18(24-7)17(23-6)14(2)26-20/h11,14-20,22H,1,12-13H2,2-10H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKeyYVTAABQZSKSHOY-JHQBWLJPSA-N
XLogP3.12
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol (CID 10982949) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol is C=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol?
The InChIKey is YVTAABQZSKSHOY-JHQBWLJPSA-N. The full InChI is InChI=1S/C21H42O7Si/c1-11-12-15(16(13-22)28-29(9,10)21(3,4)5)27-20-19(25-8)18(24-7)17(23-6)14(2)26-20/h11,14-20,22H,1,12-13H2,2-10H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol has a molecular weight of 434.65 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol is sourced from PubChem (CID 10982949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).