(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol

C18H36O6Si — CID 11703539

IUPAC(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol
SMILESCC/C=C\CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O6Si/c1-7-8-9-10-11-22-17-16(21)15(20)14(19)13(24-17)12-23-25(5,6)18(2,3)4/h8-9,13-17,19-21H,7,10-12H2,1-6H3/b9-8-/t13-,14-,15+,16-,17-/m1/s1
InChIKeyJJQHPJKKCSYHSK-VZYUEOSHSA-N
MW376.57 g/mol
LogP2.19
Rot. Bonds8

About (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol (PubChem CID 11703539) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol
PubChem CID11703539
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol
SMILESCC/C=C\CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O6Si/c1-7-8-9-10-11-22-17-16(21)15(20)14(19)13(24-17)12-23-25(5,6)18(2,3)4/h8-9,13-17,19-21H,7,10-12H2,1-6H3/b9-8-/t13-,14-,15+,16-,17-/m1/s1
InChIKeyJJQHPJKKCSYHSK-VZYUEOSHSA-N
XLogP2.19
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol (CID 11703539) is (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol is CC/C=C\CCO[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,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol?
The InChIKey is JJQHPJKKCSYHSK-VZYUEOSHSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-7-8-9-10-11-22-17-16(21)15(20)14(19)13(24-17)12-23-25(5,6)18(2,3)4/h8-9,13-17,19-21H,7,10-12H2,1-6H3/b9-8-/t13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol has a molecular weight of 376.57 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-hex-3-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 11703539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).