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

C29H36O6Si — CID 171125092

IUPAC(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O6Si/c1-29(2,3)36(22-15-9-5-10-16-22,23-17-11-6-12-18-23)34-20-24-27(25(30)26(31)28(32)35-24)33-19-21-13-7-4-8-14-21/h4-18,24-28,30-32H,19-20H2,1-3H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyZRSVNQIEWGHTPT-DFLSAPQXSA-N
MW508.69 g/mol
LogP2.59
Rot. Bonds8

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

(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol (PubChem CID 171125092) has the molecular formula C29H36O6Si and a molecular weight of 508.69 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
PubChem CID171125092
Molecular FormulaC29H36O6Si
Molecular Weight508.69 g/mol
Exact Mass508.23
IUPAC Name(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O6Si/c1-29(2,3)36(22-15-9-5-10-16-22,23-17-11-6-12-18-23)34-20-24-27(25(30)26(31)28(32)35-24)33-19-21-13-7-4-8-14-21/h4-18,24-28,30-32H,19-20H2,1-3H3/t24-,25-,26+,27-,28+/m1/s1
InChIKeyZRSVNQIEWGHTPT-DFLSAPQXSA-N
XLogP2.59
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 52.59
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

(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(2R,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[2-[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethynyl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102329909
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
(2S,4R,5R)-2-[(3R,4S,6R)-5-[(2R,3R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 89005943

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol?
The IUPAC name of (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol (CID 171125092) is (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol?
The canonical SMILES for (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol is CC(C)(C)[Si](OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol?
The InChIKey is ZRSVNQIEWGHTPT-DFLSAPQXSA-N. The full InChI is InChI=1S/C29H36O6Si/c1-29(2,3)36(22-15-9-5-10-16-22,23-17-11-6-12-18-23)34-20-24-27(25(30)26(31)28(32)35-24)33-19-21-13-7-4-8-14-21/h4-18,24-28,30-32H,19-20H2,1-3H3/t24-,25-,26+,27-,28+/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol?
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol has a molecular weight of 508.69 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol is sourced from PubChem (CID 171125092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).