(2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol

C23H44N4O15 — CID 163020439

About (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol

(2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol (PubChem CID 163020439) has the molecular formula C23H44N4O15 and a molecular weight of 616.62 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
• PubChem CID: 163020439
• Molecular Formula: C23H44N4O15
• Molecular Weight: 616.62 g/mol
• Exact Mass: 616.28
• IUPAC Name: (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
• SMILES: NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](O)C[C@H](N)[C@@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3N)O[C@H]2CO)[C@H](N)[C@H](O)[C@H]1O
• InChI: InChI=1S/C23H44N4O15/c24-2-7-13(32)15(34)10(26)21(37-7)41-19-9(4-29)39-23(17(19)36)42-20-12(31)6(30)1-5(25)18(20)40-22-11(27)16(35)14(33)8(3-28)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,22-,23+/m0/s1
• InChIKey: HRQVVDAXGRRDRM-UDZFDWRRSA-N
• XLogP: -8.83
• TPSA: 341.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.62
LogP ≤ 5	-8.83
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?

The IUPAC name of (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol (CID 163020439) is (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol.

What is the SMILES notation for (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?

The canonical SMILES for (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol is NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](O)C[C@H](N)[C@@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3N)O[C@H]2CO)[C@H](N)[C@H](O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?

The InChIKey is HRQVVDAXGRRDRM-UDZFDWRRSA-N. The full InChI is InChI=1S/C23H44N4O15/c24-2-7-13(32)15(34)10(26)21(37-7)41-19-9(4-29)39-23(17(19)36)42-20-12(31)6(30)1-5(25)18(20)40-22-11(27)16(35)14(33)8(3-28)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,22-,23+/m0/s1.

What are the key properties of (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?

(2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol has a molecular weight of 616.62 g/mol, XLogP of -8.83, 9 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol is sourced from PubChem (CID 163020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).