(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol

C32H50O5Si — CID 11731278

IUPAC(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C32H50O5Si/c1-5-6-7-8-9-10-11-18-23-27-29(33)31(35)30(34)28(37-27)24-36-38(32(2,3)4,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-31,33-35H,5-11,18,23-24H2,1-4H3/t27-,28+,29-,30-,31+/m0/s1
InChIKeyGTPYAKHQYWWXPF-GKFQJYPJSA-N
MW542.83 g/mol
LogP4.94
Rot. Bonds14

About (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol (PubChem CID 11731278) has the molecular formula C32H50O5Si and a molecular weight of 542.83 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol
PubChem CID11731278
Molecular FormulaC32H50O5Si
Molecular Weight542.83 g/mol
Exact Mass542.34
IUPAC Name(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C32H50O5Si/c1-5-6-7-8-9-10-11-18-23-27-29(33)31(35)30(34)28(37-27)24-36-38(32(2,3)4,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-31,33-35H,5-11,18,23-24H2,1-4H3/t27-,28+,29-,30-,31+/m0/s1
InChIKeyGTPYAKHQYWWXPF-GKFQJYPJSA-N
XLogP4.94
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.83
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol (CID 11731278) is (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol is CCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol?
The InChIKey is GTPYAKHQYWWXPF-GKFQJYPJSA-N. The full InChI is InChI=1S/C32H50O5Si/c1-5-6-7-8-9-10-11-18-23-27-29(33)31(35)30(34)28(37-27)24-36-38(32(2,3)4,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-31,33-35H,5-11,18,23-24H2,1-4H3/t27-,28+,29-,30-,31+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol has a molecular weight of 542.83 g/mol, XLogP of 4.94, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol is sourced from PubChem (CID 11731278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).