(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol

C112H140N6O29 — CID 159078304

About (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol

(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 159078304) has the molecular formula C112H140N6O29 and a molecular weight of 2034.36 g/mol. Its IUPAC name is (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

• Compound Name: (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol
• PubChem CID: 159078304
• Molecular Formula: C112H140N6O29
• Molecular Weight: 2034.36 g/mol
• Exact Mass: 2032.97
• IUPAC Name: (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol
• SMILES: CC1C(O)[C@H](C)OC(COCc2ccccc2)[C@@H]1N=[N+]=[N-].CC1C(O[C@@H]2OCC3(COCc4ccccc4)O[C@@H](c4ccccc4)O[C@H]23)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](O)C2OC(C)(C)OC21.CC1C(O[C@@H]2OCC3(COCc4ccccc4)O[C@@H](c4ccccc4)O[C@H]23)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2C)C2OC(C)(C)OC21
• InChI: InChI=1S/C56H69N3O14.C41H50O12.C15H21N3O3/c1-34-44(58-59-57)42(30-60-27-38-19-11-7-12-20-38)65-36(3)45(34)67-53-49-48(71-55(5,6)72-49)47(37(4)66-53)69-51-35(2)46(43(31-63-51)62-29-40-23-15-9-16-24-40)68-54-50-56(33-64-54,32-61-28-39-21-13-8-14-22-39)73-52(70-50)41-25-17-10-18-26-41;1-25-31(48-39-35-41(24-46-39,23-43-20-27-14-8-5-9-15-27)53-38(50-35)29-18-12-7-13-19-29)30(44-21-28-16-10-6-11-17-28)22-45-37(25)49-32-26(2)47-36(42)34-33(32)51-40(3,4)52-34;1-10-14(17-18-16)13(21-11(2)15(10)19)9-20-8-12-6-4-3-5-7-12/h7-26,34-37,42-54H,27-33H2,1-6H3;5-19,25-26,30-39,42H,20-24H2,1-4H3;3-7,10-11,13-15,19H,8-9H2,1-2H3/t34?,35?,36-,37?,42?,43+,44+,45?,46?,47-,48?,49?,50+,51-,52-,53-,54-,56?;25?,26?,30-,31?,32+,33?,34?,35-,36-,37+,38+,39+,41?;10?,11-,13?,14+,15?/m010/s1
• InChIKey: KANIRPXZLBKEMU-VQTXPPQYSA-N
• XLogP: 16.41
• TPSA: 387.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.36
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

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'}

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol?

The IUPAC name of (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol (CID 159078304) is (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol.

What is the SMILES notation for (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol?

The canonical SMILES for (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol is CC1C(O)[C@H](C)OC(COCc2ccccc2)[C@@H]1N=[N+]=[N-].CC1C(O[C@@H]2OCC3(COCc4ccccc4)O[C@@H](c4ccccc4)O[C@H]23)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](O)C2OC(C)(C)OC21.CC1C(O[C@@H]2OCC3(COCc4ccccc4)O[C@@H](c4ccccc4)O[C@H]23)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2C)C2OC(C)(C)OC21.

What is the InChIKey of (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol?

The InChIKey is KANIRPXZLBKEMU-VQTXPPQYSA-N. The full InChI is InChI=1S/C56H69N3O14.C41H50O12.C15H21N3O3/c1-34-44(58-59-57)42(30-60-27-38-19-11-7-12-20-38)65-36(3)45(34)67-53-49-48(71-55(5,6)72-49)47(37(4)66-53)69-51-35(2)46(43(31-63-51)62-29-40-23-15-9-16-24-40)68-54-50-56(33-64-54,32-61-28-39-21-13-8-14-22-39)73-52(70-50)41-25-17-10-18-26-41;1-25-31(48-39-35-41(24-46-39,23-43-20-27-14-8-5-9-15-27)53-38(50-35)29-18-12-7-13-19-29)30(44-21-28-16-10-6-11-17-28)22-45-37(25)49-32-26(2)47-36(42)34-33(32)51-40(3,4)52-34;1-10-14(17-18-16)13(21-11(2)15(10)19)9-20-8-12-6-4-3-5-7-12/h7-26,34-37,42-54H,27-33H2,1-6H3;5-19,25-26,30-39,42H,20-24H2,1-4H3;3-7,10-11,13-15,19H,8-9H2,1-2H3/t34?,35?,36-,37?,42?,43+,44+,45?,46?,47-,48?,49?,50+,51-,52-,53-,54-,56?;25?,26?,30-,31?,32+,33?,34?,35-,36-,37+,38+,39+,41?;10?,11-,13?,14+,15?/m010/s1.

What are the key properties of (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol?

(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 2034.36 g/mol, XLogP of 16.41, 36 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 159078304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).