N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C62H104N4O50 — CID 153471550

About N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 153471550) has the molecular formula C62H104N4O50 and a molecular weight of 1705.49 g/mol. Its IUPAC name is N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 153471550
• Molecular Formula: C62H104N4O50
• Molecular Weight: 1705.49 g/mol
• Exact Mass: 1704.57
• IUPAC Name: N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1[C@H](N=[N+]=[N-])OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3OC(CO[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O[C@H]4OC(CO)[C@@H](O)C(O)C4O[C@H]4OC(CO)[C@@H](O)C(O)C4O)C3O)[C@@H](O)[C@H](O[C@H]3OC(CO)[C@@H](O)C(O)C3O[C@H]3OC(CO)[C@@H](O)C(O)C3O[C@H]3OC(CO)[C@@H](O)C(O)C3O)C2O)[C@@H]1O
• InChI: InChI=1S/C62H104N4O50/c1-12(75)64-23-33(85)46(20(9-74)100-53(23)65-66-63)110-58-45(97)48(112-61-52(40(92)30(82)18(7-72)106-61)116-62-51(39(91)29(81)19(8-73)107-62)115-57-43(95)36(88)26(78)15(4-69)103-57)32(84)22(109-58)10-98-54-44(96)47(111-60-50(38(90)28(80)17(6-71)105-60)114-56-42(94)35(87)25(77)14(3-68)102-56)31(83)21(108-54)11-99-59-49(37(89)27(79)16(5-70)104-59)113-55-41(93)34(86)24(76)13(2-67)101-55/h13-62,67-74,76-97H,2-11H2,1H3,(H,64,75)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35?,36?,37+,38?,39?,40?,41?,42?,43?,44?,45?,46-,47+,48+,49?,50?,51?,52?,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-/m1/s1
• InChIKey: ANEXRCOZRXARTD-FGBWOBGJSA-N
• XLogP: -21.34
• TPSA: 860.13 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 51
• Rotatable Bonds: 30
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.49
LogP ≤ 5	-21.34
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	51

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 N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 153471550) is N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1[C@H](N=[N+]=[N-])OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3OC(CO[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O[C@H]4OC(CO)[C@@H](O)C(O)C4O[C@H]4OC(CO)[C@@H](O)C(O)C4O)C3O)[C@@H](O)[C@H](O[C@H]3OC(CO)[C@@H](O)C(O)C3O[C@H]3OC(CO)[C@@H](O)C(O)C3O[C@H]3OC(CO)[C@@H](O)C(O)C3O)C2O)[C@@H]1O.

What is the InChIKey of N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is ANEXRCOZRXARTD-FGBWOBGJSA-N. The full InChI is InChI=1S/C62H104N4O50/c1-12(75)64-23-33(85)46(20(9-74)100-53(23)65-66-63)110-58-45(97)48(112-61-52(40(92)30(82)18(7-72)106-61)116-62-51(39(91)29(81)19(8-73)107-62)115-57-43(95)36(88)26(78)15(4-69)103-57)32(84)22(109-58)10-98-54-44(96)47(111-60-50(38(90)28(80)17(6-71)105-60)114-56-42(94)35(87)25(77)14(3-68)102-56)31(83)21(108-54)11-99-59-49(37(89)27(79)16(5-70)104-59)113-55-41(93)34(86)24(76)13(2-67)101-55/h13-62,67-74,76-97H,2-11H2,1H3,(H,64,75)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35?,36?,37+,38?,39?,40?,41?,42?,43?,44?,45?,46-,47+,48+,49?,50?,51?,52?,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-/m1/s1.

What are the key properties of N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 1705.49 g/mol, XLogP of -21.34, 30 rotatable bonds, 31 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5S)-2-azido-5-[(2S,4S,5R)-4-[(2R,5S)-3-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 153471550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).