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

C28H41N3O8Si — CID 139255092

IUPAC(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41N3O8Si/c1-28(2,3)40(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-24(32)25(33)26(34)27(39-23)37-19-18-36-17-16-35-15-14-30-31-29/h4-13,23-27,32-34H,14-20H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKeyMKJPCKTVDAPZSG-VKINHPFQSA-N
MW575.73 g/mol
LogP1.73
Rot. Bonds15

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

(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol (PubChem CID 139255092) has the molecular formula C28H41N3O8Si and a molecular weight of 575.73 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
PubChem CID139255092
Molecular FormulaC28H41N3O8Si
Molecular Weight575.73 g/mol
Exact Mass575.27
IUPAC Name(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41N3O8Si/c1-28(2,3)40(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-24(32)25(33)26(34)27(39-23)37-19-18-36-17-16-35-15-14-30-31-29/h4-13,23-27,32-34H,14-20H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1
InChIKeyMKJPCKTVDAPZSG-VKINHPFQSA-N
XLogP1.73
TPSA155.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol with MolForge

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Related Compounds

2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
CID 140966523
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol
CID 90797458
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 11339387
[(2S,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
CID 13374022
[(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl]methanol
CID 49836887
[(2S,3S,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl]methanol
CID 49836997
(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 102091797
Methyl 6-O-[tert-butyl(diphenyl)silyl]-alpha-D-glucopyranoside
CID 2778197

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol (CID 139255092) is (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol is CC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol?
The InChIKey is MKJPCKTVDAPZSG-VKINHPFQSA-N. The full InChI is InChI=1S/C28H41N3O8Si/c1-28(2,3)40(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-24(32)25(33)26(34)27(39-23)37-19-18-36-17-16-35-15-14-30-31-29/h4-13,23-27,32-34H,14-20H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol has a molecular weight of 575.73 g/mol, XLogP of 1.73, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 139255092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).