(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride

C25H60Cl8N8O13 — CID 53467854

IUPAC(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
SMILESCO[C@H]1O[C@H](CN)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)C(O)[C@H]2N)[C@H](O)[C@H]1N.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C25H52N8O13.8ClH/c1-39-22-11(31)16(36)19(7(3-27)41-22)45-24-13(33)18(38)21(9(5-29)43-24)46-25-12(32)17(37)20(8(4-28)42-25)44-23-10(30)15(35)14(34)6(2-26)40-23;;;;;;;;/h6-25,34-38H,2-5,26-33H2,1H3;8*1H/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18?,19-,20-,21-,22+,23-,24-,25-;;;;;;;;/m1......../s1
InChIKeyFEDBQSPUUQIDDL-SALFQXGOSA-N
MW964.42 g/mol
LogP-5.99
Rot. Bonds11

About (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride

(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride (PubChem CID 53467854) has the molecular formula C25H60Cl8N8O13 and a molecular weight of 964.42 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
PubChem CID53467854
Molecular FormulaC25H60Cl8N8O13
Molecular Weight964.42 g/mol
Exact Mass960.18
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
SMILESCO[C@H]1O[C@H](CN)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)C(O)[C@H]2N)[C@H](O)[C@H]1N.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C25H52N8O13.8ClH/c1-39-22-11(31)16(36)19(7(3-27)41-22)45-24-13(33)18(38)21(9(5-29)43-24)46-25-12(32)17(37)20(8(4-28)42-25)44-23-10(30)15(35)14(34)6(2-26)40-23;;;;;;;;/h6-25,34-38H,2-5,26-33H2,1H3;8*1H/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18?,19-,20-,21-,22+,23-,24-,25-;;;;;;;;/m1......../s1
InChIKeyFEDBQSPUUQIDDL-SALFQXGOSA-N
XLogP-5.99
TPSA383.15 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.42
LogP ≤ 5-5.99
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(3S,5S,6R)-5-amino-6-[(3S,5S,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70799044
(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]oxyoxane-3,4-diol
CID 168793330
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methoxyoxan-4-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 11656005
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 90724646
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91278004
(2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol
CID 11526167
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
CID 131842478
(2S,3R,4R,5S,6R)-5-amino-2-(aminomethyl)-6-[(2S,3R,4S,5R)-5-[(1R,2R,3R,4R,5S,6S)-3,5-diamino-2-[(2S,3S,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-4,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 163097715
(2S)-5-amino-2-(aminomethyl)-6-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-propan-2-yloxolan-3-yl]oxyoxane-3,4-diol
CID 174021220
(2R,3R,4S,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol
CID 131883848
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride?
The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride (CID 53467854) is (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride.
What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride?
The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride is CO[C@H]1O[C@H](CN)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)C(O)[C@H]2N)[C@H](O)[C@H]1N.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride?
The InChIKey is FEDBQSPUUQIDDL-SALFQXGOSA-N. The full InChI is InChI=1S/C25H52N8O13.8ClH/c1-39-22-11(31)16(36)19(7(3-27)41-22)45-24-13(33)18(38)21(9(5-29)43-24)46-25-12(32)17(37)20(8(4-28)42-25)44-23-10(30)15(35)14(34)6(2-26)40-23;;;;;;;;/h6-25,34-38H,2-5,26-33H2,1H3;8*1H/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18?,19-,20-,21-,22+,23-,24-,25-;;;;;;;;/m1......../s1.
What are the key properties of (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride?
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride has a molecular weight of 964.42 g/mol, XLogP of -5.99, 11 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride is sourced from PubChem (CID 53467854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).