(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

C18H36N4O11 — CID 11656005

IUPAC(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
SMILESCO[C@@H]1O[C@H](CN)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1N
InChIInChI=1S/C18H36N4O11/c1-28-16-9(22)15(33-17-8(21)12(26)10(24)5(2-19)29-17)14(6(3-20)30-16)32-18-13(27)11(25)7(4-23)31-18/h5-18,23-27H,2-4,19-22H2,1H3/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyZPCDIPAWHDPSTK-QHFFVWEMSA-N
MW484.50 g/mol
LogP-6.41
Rot. Bonds8

About (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

(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 (PubChem CID 11656005) has the molecular formula C18H36N4O11 and a molecular weight of 484.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11656005
Molecular FormulaC18H36N4O11
Molecular Weight484.50 g/mol
Exact Mass484.24
IUPAC Name(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
SMILESCO[C@@H]1O[C@H](CN)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1N
InChIInChI=1S/C18H36N4O11/c1-28-16-9(22)15(33-17-8(21)12(26)10(24)5(2-19)29-17)14(6(3-20)30-16)32-18-13(27)11(25)7(4-23)31-18/h5-18,23-27H,2-4,19-22H2,1H3/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyZPCDIPAWHDPSTK-QHFFVWEMSA-N
XLogP-6.41
TPSA260.61 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500484.50
LogP ≤ 5-6.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze (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 with MolForge

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Related Compounds

(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
(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,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
5-amino-2-(aminomethyl)-6-[2,4-diamino-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxycyclohexyl]oxyoxane-3,4-diol
CID 3040441
(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
(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
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(3S,6R)-5-amino-2-(aminomethyl)-6-[(1R,4R)-4,6-diamino-2-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 142450601
(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-2-[(2S,4R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 71017291

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@@H]1O[C@H](CN)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1N.
What is the InChIKey of (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?
The InChIKey is ZPCDIPAWHDPSTK-QHFFVWEMSA-N. The full InChI is InChI=1S/C18H36N4O11/c1-28-16-9(22)15(33-17-8(21)12(26)10(24)5(2-19)29-17)14(6(3-20)30-16)32-18-13(27)11(25)7(4-23)31-18/h5-18,23-27H,2-4,19-22H2,1H3/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 484.50 g/mol, XLogP of -6.41, 8 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11656005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).