(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol

C15H30O6Si — CID 57220858

IUPAC(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CC[C@]1(O)[C@@H](O)[C@@H](C(O)[Si](C)(C)C(C)(C)C)O[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6Si/c1-7-8-15(20)10(16)9(21-12(18)11(15)17)13(19)22(5,6)14(2,3)4/h7,9-13,16-20H,1,8H2,2-6H3/t9-,10-,11-,12-,13?,15-/m0/s1
InChIKeyYGUIJGQKRKFQPK-XKNMMBQYSA-N
MW334.49 g/mol
LogP0.14
Rot. Bonds4

About (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol (PubChem CID 57220858) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol
PubChem CID57220858
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CC[C@]1(O)[C@@H](O)[C@@H](C(O)[Si](C)(C)C(C)(C)C)O[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6Si/c1-7-8-15(20)10(16)9(21-12(18)11(15)17)13(19)22(5,6)14(2,3)4/h7,9-13,16-20H,1,8H2,2-6H3/t9-,10-,11-,12-,13?,15-/m0/s1
InChIKeyYGUIJGQKRKFQPK-XKNMMBQYSA-N
XLogP0.14
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol (CID 57220858) is (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol is C=CC[C@]1(O)[C@@H](O)[C@@H](C(O)[Si](C)(C)C(C)(C)C)O[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol?
The InChIKey is YGUIJGQKRKFQPK-XKNMMBQYSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-7-8-15(20)10(16)9(21-12(18)11(15)17)13(19)22(5,6)14(2,3)4/h7,9-13,16-20H,1,8H2,2-6H3/t9-,10-,11-,12-,13?,15-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol has a molecular weight of 334.49 g/mol, XLogP of 0.14, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-prop-2-enyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 57220858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).