(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol

C16H30O6Si — CID 164574889

IUPAC(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol
SMILESC#CCCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H30O6Si/c1-7-8-9-20-15-14(19)13(18)12(17)11(22-15)10-21-23(5,6)16(2,3)4/h1,11-15,17-19H,8-10H2,2-6H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyBYNAWCUQEIKKGO-GZBLMMOJSA-N
MW346.50 g/mol
LogP0.86
Rot. Bonds6

About (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol (PubChem CID 164574889) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol
PubChem CID164574889
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol
SMILESC#CCCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H30O6Si/c1-7-8-9-20-15-14(19)13(18)12(17)11(22-15)10-21-23(5,6)16(2,3)4/h1,11-15,17-19H,8-10H2,2-6H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyBYNAWCUQEIKKGO-GZBLMMOJSA-N
XLogP0.86
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol (CID 164574889) is (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol is C#CCCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol?
The InChIKey is BYNAWCUQEIKKGO-GZBLMMOJSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-7-8-9-20-15-14(19)13(18)12(17)11(22-15)10-21-23(5,6)16(2,3)4/h1,11-15,17-19H,8-10H2,2-6H3/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol has a molecular weight of 346.50 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-but-3-ynoxyoxane-3,4,5-triol is sourced from PubChem (CID 164574889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).