(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol

C24H46N4O14 — CID 155563698

About (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol (PubChem CID 155563698) has the molecular formula C24H46N4O14 and a molecular weight of 614.65 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol
• PubChem CID: 155563698
• Molecular Formula: C24H46N4O14
• Molecular Weight: 614.65 g/mol
• Exact Mass: 614.30
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol
• SMILES: NC[C@H]1O[C@H](O[C@H]2[C@H](C[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C24H46N4O14/c25-3-10-16(33)19(36)20(37)24(39-10)42-22-6(1-9-15(32)17(34)12(5-30)38-9)21(7(26)2-8(22)27)41-23-18(35)13(28)14(31)11(4-29)40-23/h6-24,29-37H,1-5,25-28H2/t6-,7-,8+,9+,10-,11-,12-,13+,14-,15+,16-,17-,18-,19+,20-,21-,22+,23-,24-/m1/s1
• InChIKey: KMOZQVLFSCXHPT-POJCVPSXSA-N
• XLogP: -8.16
• TPSA: 332.30 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	614.65
LogP ≤ 5	-8.16
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol (CID 155563698) is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol is NC[C@H]1O[C@H](O[C@H]2[C@H](C[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol?

The InChIKey is KMOZQVLFSCXHPT-POJCVPSXSA-N. The full InChI is InChI=1S/C24H46N4O14/c25-3-10-16(33)19(36)20(37)24(39-10)42-22-6(1-9-15(32)17(34)12(5-30)38-9)21(7(26)2-8(22)27)41-23-18(35)13(28)14(31)11(4-29)40-23/h6-24,29-37H,1-5,25-28H2/t6-,7-,8+,9+,10-,11-,12-,13+,14-,15+,16-,17-,18-,19+,20-,21-,22+,23-,24-/m1/s1.

What are the key properties of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol?

(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol has a molecular weight of 614.65 g/mol, XLogP of -8.16, 9 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]cyclohexyl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 155563698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).