(3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol

C76H101N3O13Si2 — CID 173465057

About (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol

(3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol (PubChem CID 173465057) has the molecular formula C76H101N3O13Si2 and a molecular weight of 1320.82 g/mol. Its IUPAC name is (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol.

Molecular Properties

• Compound Name: (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol
• PubChem CID: 173465057
• Molecular Formula: C76H101N3O13Si2
• Molecular Weight: 1320.82 g/mol
• Exact Mass: 1319.69
• IUPAC Name: (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol
• SMILES: CO[C@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)C(O[C@@H]3OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@H](C)C1C
• InChI: InChI=1S/C76H101N3O13Si2/c1-49-50(2)71(81-14)88-62(47-84-93(75(8,9)10,58-37-25-17-26-38-58)59-39-27-18-28-40-59)66(49)90-73-53(5)69(83-46-57-35-23-16-24-36-57)70(55(7)87-73)92-74-64(78-79-77)51(3)67(91-72-52(4)68(65(80)54(6)86-72)82-45-56-33-21-15-22-34-56)63(89-74)48-85-94(76(11,12)13,60-41-29-19-30-42-60)61-43-31-20-32-44-61/h15-44,49-55,62-74,80H,45-48H2,1-14H3/t49-,50?,51-,52?,53?,54?,55?,62?,63?,64?,65-,66+,67+,68+,69+,70?,71+,72+,73+,74+/m1/s1
• InChIKey: UULJYRHXPXVUAR-SSHWAMSISA-N
• XLogP: 12.27
• TPSA: 179.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.82
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol?

The IUPAC name of (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol (CID 173465057) is (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol.

What is the SMILES notation for (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol?

The canonical SMILES for (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol is CO[C@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)C(O[C@@H]3OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@H](C)C1C.

What is the InChIKey of (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol?

The InChIKey is UULJYRHXPXVUAR-SSHWAMSISA-N. The full InChI is InChI=1S/C76H101N3O13Si2/c1-49-50(2)71(81-14)88-62(47-84-93(75(8,9)10,58-37-25-17-26-38-58)59-39-27-18-28-40-59)66(49)90-73-53(5)69(83-46-57-35-23-16-24-36-57)70(55(7)87-73)92-74-64(78-79-77)51(3)67(91-72-52(4)68(65(80)54(6)86-72)82-45-56-33-21-15-22-34-56)63(89-74)48-85-94(76(11,12)13,60-41-29-19-30-42-60)61-43-31-20-32-44-61/h15-44,49-55,62-74,80H,45-48H2,1-14H3/t49-,50?,51-,52?,53?,54?,55?,62?,63?,64?,65-,66+,67+,68+,69+,70?,71+,72+,73+,74+/m1/s1.

What are the key properties of (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol?

(3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol has a molecular weight of 1320.82 g/mol, XLogP of 12.27, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 173465057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).