(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol

C19H31BrO5Si — CID 57220767

IUPAC(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@H](Br)[C@@](O)(Cc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H31BrO5Si/c1-18(2,3)26(4,5)16(23)14-13(21)15(22)19(24,17(20)25-14)11-12-9-7-6-8-10-12/h6-10,13-17,21-24H,11H2,1-5H3/t13-,14+,15+,16?,17+,19-/m1/s1
InChIKeyKTRYWXJBHPNNCO-QXALCELXSA-N
MW447.44 g/mol
LogP2.21
Rot. Bonds4

About (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol

(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol (PubChem CID 57220767) has the molecular formula C19H31BrO5Si and a molecular weight of 447.44 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol
PubChem CID57220767
Molecular FormulaC19H31BrO5Si
Molecular Weight447.44 g/mol
Exact Mass446.11
IUPAC Name(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@H](Br)[C@@](O)(Cc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H31BrO5Si/c1-18(2,3)26(4,5)16(23)14-13(21)15(22)19(24,17(20)25-14)11-12-9-7-6-8-10-12/h6-10,13-17,21-24H,11H2,1-5H3/t13-,14+,15+,16?,17+,19-/m1/s1
InChIKeyKTRYWXJBHPNNCO-QXALCELXSA-N
XLogP2.21
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol (CID 57220767) is (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol is CC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@H](Br)[C@@](O)(Cc2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol?
The InChIKey is KTRYWXJBHPNNCO-QXALCELXSA-N. The full InChI is InChI=1S/C19H31BrO5Si/c1-18(2,3)26(4,5)16(23)14-13(21)15(22)19(24,17(20)25-14)11-12-9-7-6-8-10-12/h6-10,13-17,21-24H,11H2,1-5H3/t13-,14+,15+,16?,17+,19-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol?
(2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol has a molecular weight of 447.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-3-benzyl-2-bromo-6-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 57220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).