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

C23H45N5O14 — CID 162873157

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

(2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol (PubChem CID 162873157) has the molecular formula C23H45N5O14 and a molecular weight of 615.63 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
• PubChem CID: 162873157
• Molecular Formula: C23H45N5O14
• Molecular Weight: 615.63 g/mol
• Exact Mass: 615.30
• IUPAC Name: (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]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](CN)[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/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-5(26)1-6(30)12(31)20(18)42-23-17(36)19(9(4-29)39-23)41-22-11(28)16(35)14(33)8(3-25)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14-,15+,16-,17-,18-,19+,20-,21-,22+,23+/m1/s1
• InChIKey: HNBFTXDNUFWYJV-MJVPWUAXSA-N
• XLogP: -8.86
• TPSA: 347.32 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	615.63
LogP ≤ 5	-8.86
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol (CID 162873157) is (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol.

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

The canonical SMILES for (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]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](CN)[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 (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol?

The InChIKey is HNBFTXDNUFWYJV-MJVPWUAXSA-N. The full InChI is InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-5(26)1-6(30)12(31)20(18)42-23-17(36)19(9(4-29)39-23)41-22-11(28)16(35)14(33)8(3-25)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14-,15+,16-,17-,18-,19+,20-,21-,22+,23+/m1/s1.

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

(2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol has a molecular weight of 615.63 g/mol, XLogP of -8.86, 9 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol is sourced from PubChem (CID 162873157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).