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

C28H34O5SSi — CID 10673293

IUPAC(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O5SSi/c1-28(2,3)35(21-15-9-5-10-16-21,22-17-11-6-12-18-22)32-19-23-24(29)25(30)26(31)27(33-23)34-20-13-7-4-8-14-20/h4-18,23-27,29-31H,19H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKeyFGJINLMKPNLMAY-VKINHPFQSA-N
MW510.73 g/mol
LogP3.16
Rot. Bonds7

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

(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol (PubChem CID 10673293) has the molecular formula C28H34O5SSi and a molecular weight of 510.73 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
PubChem CID10673293
Molecular FormulaC28H34O5SSi
Molecular Weight510.73 g/mol
Exact Mass510.19
IUPAC Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O5SSi/c1-28(2,3)35(21-15-9-5-10-16-21,22-17-11-6-12-18-22)32-19-23-24(29)25(30)26(31)27(33-23)34-20-13-7-4-8-14-20/h4-18,23-27,29-31H,19H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKeyFGJINLMKPNLMAY-VKINHPFQSA-N
XLogP3.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.73
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl thio-beta-D-galactopyranoside
CID 2802071
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
Phenyl beta-D-thiogalactopyranoside
CID 314404
PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
Phenyl 1-thio-beta-D-glucopyranoside
CID 10934592
Phenyl alpha-D-thiomannopyranoside
CID 10945584
Phenyl-1-thio-beta-d-glucopyranoside
CID 14212241
phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
B-[2-Fluoro-6-(trifluoromethyl)-3-pyridinyl]boronic Acid
CID 46782750
Phenyl 1-thio-d-galactopyranoside
CID 54171671
4,5-Dimethoxy-6-(methoxymethyl)-2-phenylsulfanyloxan-3-ol
CID 397410
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 20739026

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol (CID 10673293) is (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol is CC(C)(C)[Si](OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The InChIKey is FGJINLMKPNLMAY-VKINHPFQSA-N. The full InChI is InChI=1S/C28H34O5SSi/c1-28(2,3)35(21-15-9-5-10-16-21,22-17-11-6-12-18-22)32-19-23-24(29)25(30)26(31)27(33-23)34-20-13-7-4-8-14-20/h4-18,23-27,29-31H,19H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol has a molecular weight of 510.73 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 10673293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).