(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol

C18H30O6Si — CID 10499411

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C18H30O6Si/c1-25(2,3)10-9-22-18-16(21)17(15(20)14(11-19)24-18)23-12-13-7-5-4-6-8-13/h4-8,14-21H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1
InChIKeyYDOBGYPRDWKOGQ-MDMSPXHWSA-N
MW370.52 g/mol
LogP1.37
Rot. Bonds8

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol (PubChem CID 10499411) has the molecular formula C18H30O6Si and a molecular weight of 370.52 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol
PubChem CID10499411
Molecular FormulaC18H30O6Si
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C18H30O6Si/c1-25(2,3)10-9-22-18-16(21)17(15(20)14(11-19)24-18)23-12-13-7-5-4-6-8-13/h4-8,14-21H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1
InChIKeyYDOBGYPRDWKOGQ-MDMSPXHWSA-N
XLogP1.37
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol (CID 10499411) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol is C[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol?
The InChIKey is YDOBGYPRDWKOGQ-MDMSPXHWSA-N. The full InChI is InChI=1S/C18H30O6Si/c1-25(2,3)10-9-22-18-16(21)17(15(20)14(11-19)24-18)23-12-13-7-5-4-6-8-13/h4-8,14-21H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol has a molecular weight of 370.52 g/mol, XLogP of 1.37, 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-(hydroxymethyl)-4-phenylmethoxy-6-(2-trimethylsilylethoxy)oxane-3,5-diol is sourced from PubChem (CID 10499411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).