(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol

C23H38O5Si — CID 90469872

IUPAC(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol
SMILESC=CC[C@@]1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C23H38O5Si/c1-8-14-23(24)21(25-5)15-19(26-16-18-12-10-9-11-13-18)20(28-23)17-27-29(6,7)22(2,3)4/h8-13,19-21,24H,1,14-17H2,2-7H3/t19-,20+,21+,23+/m0/s1
InChIKeyIIWSBQVMAYMMNJ-ZZLPTCMGSA-N
MW422.64 g/mol
LogP4.66
Rot. Bonds9

About (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol

(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol (PubChem CID 90469872) has the molecular formula C23H38O5Si and a molecular weight of 422.64 g/mol. Its IUPAC name is (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol.

Molecular Properties

Compound Name(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol
PubChem CID90469872
Molecular FormulaC23H38O5Si
Molecular Weight422.64 g/mol
Exact Mass422.25
IUPAC Name(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol
SMILESC=CC[C@@]1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C23H38O5Si/c1-8-14-23(24)21(25-5)15-19(26-16-18-12-10-9-11-13-18)20(28-23)17-27-29(6,7)22(2,3)4/h8-13,19-21,24H,1,14-17H2,2-7H3/t19-,20+,21+,23+/m0/s1
InChIKeyIIWSBQVMAYMMNJ-ZZLPTCMGSA-N
XLogP4.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol?
The IUPAC name of (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol (CID 90469872) is (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol.
What is the SMILES notation for (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol?
The canonical SMILES for (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol is C=CC[C@@]1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)C[C@H]1OC.
What is the InChIKey of (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol?
The InChIKey is IIWSBQVMAYMMNJ-ZZLPTCMGSA-N. The full InChI is InChI=1S/C23H38O5Si/c1-8-14-23(24)21(25-5)15-19(26-16-18-12-10-9-11-13-18)20(28-23)17-27-29(6,7)22(2,3)4/h8-13,19-21,24H,1,14-17H2,2-7H3/t19-,20+,21+,23+/m0/s1.
What are the key properties of (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol?
(2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol has a molecular weight of 422.64 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-5-phenylmethoxy-2-prop-2-enyloxan-2-ol is sourced from PubChem (CID 90469872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).