(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol

C45H57N3O10Si — CID 15224253

IUPAC(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H57N3O10Si/c1-59(2,3)25-24-53-45-43(55-29-35-22-14-7-15-23-35)42(54-28-34-20-12-6-13-21-34)41(37(57-45)31-52-27-33-18-10-5-11-19-33)58-44-38(47-48-46)40(50)39(49)36(56-44)30-51-26-32-16-8-4-9-17-32/h4-23,36-45,49-50H,24-31H2,1-3H3/t36-,37-,38-,39+,40-,41-,42+,43-,44+,45-/m1/s1
InChIKeyPQZGNOWIYLQXMZ-PPTXHGBMSA-N
MW828.05 g/mol
LogP7.18
Rot. Bonds21

About (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol

(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol (PubChem CID 15224253) has the molecular formula C45H57N3O10Si and a molecular weight of 828.05 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol
PubChem CID15224253
Molecular FormulaC45H57N3O10Si
Molecular Weight828.05 g/mol
Exact Mass827.38
IUPAC Name(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H57N3O10Si/c1-59(2,3)25-24-53-45-43(55-29-35-22-14-7-15-23-35)42(54-28-34-20-12-6-13-21-34)41(37(57-45)31-52-27-33-18-10-5-11-19-33)58-44-38(47-48-46)40(50)39(49)36(56-44)30-51-26-32-16-8-4-9-17-32/h4-23,36-45,49-50H,24-31H2,1-3H3/t36-,37-,38-,39+,40-,41-,42+,43-,44+,45-/m1/s1
InChIKeyPQZGNOWIYLQXMZ-PPTXHGBMSA-N
XLogP7.18
TPSA163.06 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.05
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 10983616
(3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 12170840
2-(Azidomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 15236003
3-azido-4,5-bis(benzyloxy)-6-((tert-butyldiphenylsilyloxy)methyl)tetrahydro-2H-pyran-2-ol
CID 16210717
Methyl 2-azido-3-O-benzoyl-2-deoxy-alpha-D-glucopyranoside
CID 52918421
2-azido-3-O-benzyl-4,6-O-benzylidene-2-deoxy-d-glucopyranose
CID 56998802
5-Azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[2,3,4,5-tetrakis(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxyoxan-3-ol
CID 58627433
(2R,3R,4R,5S,6R)-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90733829
(6S,8aS)-7-azido-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134831994
(3r,4r,5s,6r)-2,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2h-pyran-3-amine hydrochloride
CID 162737026
(3R,4R,5S,6R)-3,4-diazido-2-[(2R,3R,4S,5S,6S)-2-(azidomethyl)-5-fluoro-6-methyl-4-phenylmethoxyoxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 60076959
5-Azido-2-(azidomethyl)-6-[5-[3,5-diazido-2-[6-(azidomethyl)-4-fluoro-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 139575408

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol (CID 15224253) is (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol is C[Si](C)(C)CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
The InChIKey is PQZGNOWIYLQXMZ-PPTXHGBMSA-N. The full InChI is InChI=1S/C45H57N3O10Si/c1-59(2,3)25-24-53-45-43(55-29-35-22-14-7-15-23-35)42(54-28-34-20-12-6-13-21-34)41(37(57-45)31-52-27-33-18-10-5-11-19-33)58-44-38(47-48-46)40(50)39(49)36(56-44)30-51-26-32-16-8-4-9-17-32/h4-23,36-45,49-50H,24-31H2,1-3H3/t36-,37-,38-,39+,40-,41-,42+,43-,44+,45-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol?
(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol has a molecular weight of 828.05 g/mol, XLogP of 7.18, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 15224253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).