(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

C107H137F3N30O23 — CID 158264804

About (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

(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 (PubChem CID 158264804) has the molecular formula C107H137F3N30O23 and a molecular weight of 2268.45 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 158264804
• Molecular Formula: C107H137F3N30O23
• Molecular Weight: 2268.45 g/mol
• Exact Mass: 2267.04
• IUPAC Name: (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
• SMILES: CO[C@@H]1[C@@H](OC2C[C@@](C)(OC)C(F)(F)[C@H](C)O2)[C@H](C)OC(C)[C@H]1C.CO[C@@H]1[C@@H](OCc2ccccc2)[C@H](C)O[C@H](CN=[N+]=[N-])[C@H]1OC1O[C@H](CN=[N+]=[N-])[C@H](OCc2ccccc2)[C@H](OC)[C@H]1N=[N+]=[N-].C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](N=[N+]=[N-])[C@H]2N=[N+]=[N-])C[C@H]1N=[N+]=[N-].C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](N=[N+]=[N-])[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1F
• InChI: InChI=1S/C34H38FN9O6.C29H37N9O7.C27H32N12O5.C17H30F2O5/c1-22-28(35)33(47-20-25-15-9-4-10-16-25)32(26(48-22)17-39-42-36)50-34-30(41-44-38)29(40-43-37)31(46-19-24-13-7-3-8-14-24)27(49-34)21-45-18-23-11-5-2-6-12-23;1-18-24(41-16-19-10-6-4-7-11-19)28(40-3)26(22(43-18)15-34-37-31)45-29-23(35-38-32)27(39-2)25(21(44-29)14-33-36-30)42-17-20-12-8-5-9-13-20;1-17-20(33-37-29)12-21(22(42-17)13-32-36-28)43-27-25(35-39-31)24(34-38-30)26(41-15-19-10-6-3-7-11-19)23(44-27)16-40-14-18-8-4-2-5-9-18;1-9-10(2)22-11(3)15(14(9)20-6)24-13-8-16(5,21-7)17(18,19)12(4)23-13/h2-16,22,26-34H,17-21H2,1H3;4-13,18,21-29H,14-17H2,1-3H3;2-11,17,20-27H,12-16H2,1H3;9-15H,8H2,1-7H3/t22-,26+,27+,28-,29+,30+,31-,32+,33+,34?;18-,21+,22+,23+,24-,25-,26+,27+,28+,29?;17-,20+,21-,22+,23+,24+,25+,26-,27?;9-,10?,11+,12+,13?,14+,15+,16-/m0001/s1
• InChIKey: GIHPWZVRAHZPOJ-PUJPLWPJSA-N
• XLogP: 22.09
• TPSA: 699.89 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 49
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.45
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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 (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?

The IUPAC name of (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 (CID 158264804) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CO[C@@H]1[C@@H](OC2C[C@@](C)(OC)C(F)(F)[C@H](C)O2)[C@H](C)OC(C)[C@H]1C.CO[C@@H]1[C@@H](OCc2ccccc2)[C@H](C)O[C@H](CN=[N+]=[N-])[C@H]1OC1O[C@H](CN=[N+]=[N-])[C@H](OCc2ccccc2)[C@H](OC)[C@H]1N=[N+]=[N-].C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](N=[N+]=[N-])[C@H]2N=[N+]=[N-])C[C@H]1N=[N+]=[N-].C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](N=[N+]=[N-])[C@H]2N=[N+]=[N-])[C@H](OCc2ccccc2)[C@H]1F.

What is the InChIKey of (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?

The InChIKey is GIHPWZVRAHZPOJ-PUJPLWPJSA-N. The full InChI is InChI=1S/C34H38FN9O6.C29H37N9O7.C27H32N12O5.C17H30F2O5/c1-22-28(35)33(47-20-25-15-9-4-10-16-25)32(26(48-22)17-39-42-36)50-34-30(41-44-38)29(40-43-37)31(46-19-24-13-7-3-8-14-24)27(49-34)21-45-18-23-11-5-2-6-12-23;1-18-24(41-16-19-10-6-4-7-11-19)28(40-3)26(22(43-18)15-34-37-31)45-29-23(35-38-32)27(39-2)25(21(44-29)14-33-36-30)42-17-20-12-8-5-9-13-20;1-17-20(33-37-29)12-21(22(42-17)13-32-36-28)43-27-25(35-39-31)24(34-38-30)26(41-15-19-10-6-3-7-11-19)23(44-27)16-40-14-18-8-4-2-5-9-18;1-9-10(2)22-11(3)15(14(9)20-6)24-13-8-16(5,21-7)17(18,19)12(4)23-13/h2-16,22,26-34H,17-21H2,1H3;4-13,18,21-29H,14-17H2,1-3H3;2-11,17,20-27H,12-16H2,1H3;9-15H,8H2,1-7H3/t22-,26+,27+,28-,29+,30+,31-,32+,33+,34?;18-,21+,22+,23+,24-,25-,26+,27+,28+,29?;17-,20+,21-,22+,23+,24+,25+,26-,27?;9-,10?,11+,12+,13?,14+,15+,16-/m0001/s1.

What are the key properties of (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?

(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 has a molecular weight of 2268.45 g/mol, XLogP of 22.09, 49 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 158264804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).