[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate

C65H69F5N12O12Si — CID 102322675

IUPAC[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESC[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C65H69F5N12O12Si/c1-41-50(75-79-71)56(51(76-80-72)61(88-41)94-95(63(2,3)4,46-31-19-9-20-32-46)47-33-21-10-22-34-47)92-60-52(77-81-73)57(86-37-44-27-15-7-16-28-44)54(48(89-60)39-84-35-42-23-11-5-12-24-42)91-59-53(78-82-74)58(87-38-45-29-17-8-18-30-45)55(93-62(83)64(66,67)65(68,69)70)49(90-59)40-85-36-43-25-13-6-14-26-43/h5-34,41,48-61H,35-40H2,1-4H3/t41-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60+,61+/m1/s1
InChIKeyHPEJJWGTECQIOD-UNGUWEHWSA-N
MW1333.41 g/mol
LogP12.96
Rot. Bonds28

About [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate

[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 102322675) has the molecular formula C65H69F5N12O12Si and a molecular weight of 1333.41 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID102322675
Molecular FormulaC65H69F5N12O12Si
Molecular Weight1333.41 g/mol
Exact Mass1332.48
IUPAC Name[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESC[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C65H69F5N12O12Si/c1-41-50(75-79-71)56(51(76-80-72)61(88-41)94-95(63(2,3)4,46-31-19-9-20-32-46)47-33-21-10-22-34-47)92-60-52(77-81-73)57(86-37-44-27-15-7-16-28-44)54(48(89-60)39-84-35-42-23-11-5-12-24-42)91-59-53(78-82-74)58(87-38-45-29-17-8-18-30-45)55(93-62(83)64(66,67)65(68,69)70)49(90-59)40-85-36-43-25-13-6-14-26-43/h5-34,41,48-61H,35-40H2,1-4H3/t41-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60+,61+/m1/s1
InChIKeyHPEJJWGTECQIOD-UNGUWEHWSA-N
XLogP12.96
TPSA313.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.41
LogP ≤ 512.96
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate (CID 102322675) is [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate is C[C@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](OC(=O)C(F)(F)C(F)(F)F)[C@H](OCc4ccccc4)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])[C@@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is HPEJJWGTECQIOD-UNGUWEHWSA-N. The full InChI is InChI=1S/C65H69F5N12O12Si/c1-41-50(75-79-71)56(51(76-80-72)61(88-41)94-95(63(2,3)4,46-31-19-9-20-32-46)47-33-21-10-22-34-47)92-60-52(77-81-73)57(86-37-44-27-15-7-16-28-44)54(48(89-60)39-84-35-42-23-11-5-12-24-42)91-59-53(78-82-74)58(87-38-45-29-17-8-18-30-45)55(93-62(83)64(66,67)65(68,69)70)49(90-59)40-85-36-43-25-13-6-14-26-43/h5-34,41,48-61H,35-40H2,1-4H3/t41-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60+,61+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate?
[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 1333.41 g/mol, XLogP of 12.96, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 102322675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).