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

C84H87N3O15 — CID 11286362

IUPAC(2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC#CCO[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](N=[N+]=[N-])O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C84H87N3O15/c1-2-48-91-73-70(58-88-49-61-30-12-3-13-31-61)99-83(80(96-56-68-44-26-10-27-45-68)76(73)92-52-64-36-18-6-19-37-64)102-75-72(60-90-51-63-34-16-5-17-35-63)100-84(81(97-57-69-46-28-11-29-47-69)78(75)94-54-66-40-22-8-23-41-66)101-74-71(59-89-50-62-32-14-4-15-33-62)98-82(86-87-85)79(95-55-67-42-24-9-25-43-67)77(74)93-53-65-38-20-7-21-39-65/h1,3-47,70-84H,48-60H2/t70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,83-,84-/m1/s1
InChIKeyQDCOXYQRSMLCGN-VIBHCZOASA-N
MW1378.63 g/mol
LogP14.42
Rot. Bonds37

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

(2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11286362) has the molecular formula C84H87N3O15 and a molecular weight of 1378.63 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11286362
Molecular FormulaC84H87N3O15
Molecular Weight1378.63 g/mol
Exact Mass1377.61
IUPAC Name(2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC#CCO[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](N=[N+]=[N-])O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C84H87N3O15/c1-2-48-91-73-70(58-88-49-61-30-12-3-13-31-61)99-83(80(96-56-68-44-26-10-27-45-68)76(73)92-52-64-36-18-6-19-37-64)102-75-72(60-90-51-63-34-16-5-17-35-63)100-84(81(97-57-69-46-28-11-29-47-69)78(75)94-54-66-40-22-8-23-41-66)101-74-71(59-89-50-62-32-14-4-15-33-62)98-82(86-87-85)79(95-55-67-42-24-9-25-43-67)77(74)93-53-65-38-20-7-21-39-65/h1,3-47,70-84H,48-60H2/t70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,83-,84-/m1/s1
InChIKeyQDCOXYQRSMLCGN-VIBHCZOASA-N
XLogP14.42
TPSA187.21 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.63
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

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Related Compounds

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(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
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(3R,4R,5R,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
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(2R,3R,4R,5S,6S)-3-[(3R,4R,5S,6R)-3-azido-6-(azidomethyl)-4-methoxy-5-phenylmethoxyoxan-2-yl]oxy-2-(azidomethyl)-4-methoxy-6-methyl-5-phenylmethoxyoxane;(3R,4R,5R,6R)-3,4-diazido-2-[(2R,3S,5R,6S)-5-azido-2-(azidomethyl)-6-methyloxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane;(3R,4R,5R,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;(2S,4R)-3,3-difluoro-4-methoxy-6-[(2S,3S,4S,5R)-4-methoxy-2,5,6-trimethyloxan-3-yl]oxy-2,4-dimethyloxane
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(2R,3S,4S,5R,6R)-2-azido-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxane
CID 10415502

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11286362) is (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is C#CCO[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](N=[N+]=[N-])O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is QDCOXYQRSMLCGN-VIBHCZOASA-N. The full InChI is InChI=1S/C84H87N3O15/c1-2-48-91-73-70(58-88-49-61-30-12-3-13-31-61)99-83(80(96-56-68-44-26-10-27-45-68)76(73)92-52-64-36-18-6-19-37-64)102-75-72(60-90-51-63-34-16-5-17-35-63)100-84(81(97-57-69-46-28-11-29-47-69)78(75)94-54-66-40-22-8-23-41-66)101-74-71(59-89-50-62-32-14-4-15-33-62)98-82(86-87-85)79(95-55-67-42-24-9-25-43-67)77(74)93-53-65-38-20-7-21-39-65/h1,3-47,70-84H,48-60H2/t70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,83-,84-/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 1378.63 g/mol, XLogP of 14.42, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-azido-5-[(2R,3S,4S,5R,6R)-5-[(2R,3S,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-prop-2-ynoxyoxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).