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

C18H36N4O10 — CID 163056908

IUPAC(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
SMILESCN[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@@H]2N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C18H36N4O10/c1-22-6-2-5(20)15(31-17-9(21)13(27)11(25)7(3-19)29-17)16(10(6)24)32-18-14(28)12(26)8(4-23)30-18/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14+,15+,16+,17-,18-/m1/s1
InChIKeyWNWOJBZDUXYCGN-LZATYKFISA-N
MW468.50 g/mol
LogP-6.39
Rot. Bonds7

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

(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol (PubChem CID 163056908) has the molecular formula C18H36N4O10 and a molecular weight of 468.50 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
PubChem CID163056908
Molecular FormulaC18H36N4O10
Molecular Weight468.50 g/mol
Exact Mass468.24
IUPAC Name(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
SMILESCN[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@@H]2N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C18H36N4O10/c1-22-6-2-5(20)15(31-17-9(21)13(27)11(25)7(3-19)29-17)16(10(6)24)32-18-14(28)12(26)8(4-23)30-18/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14+,15+,16+,17-,18-/m1/s1
InChIKeyWNWOJBZDUXYCGN-LZATYKFISA-N
XLogP-6.39
TPSA248.39 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500468.50
LogP ≤ 5-6.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 69478596
(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
(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
(2S,3R,4R,5S,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3S,4S,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3S,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 98106378
(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2S,3S,4R,6S)-4,6-diamino-2-[(2S,3S,4S,5R)-4-[(3S,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 50986323
(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124762242
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,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-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 24871322
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 71307092
(3S,4R,6S)-5-amino-2-(aminomethyl)-6-[(1R,3R,4R)-4,6-diamino-2-[(3S,4R)-4-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 118213768
(2R,3R,4R,5S,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-2-[(2R,3R,4S,5S)-4-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124858522
(2R,3R,4R,5R,6R)-5-amino-6-[(1S,2R,3R,4R,6S)-6-amino-2-[(2R,3R,4S,5R)-4-[(2S,3R,4R,5S,6R)-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 162873159

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol (CID 163056908) is (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol is CN[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@@H]2N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol?
The InChIKey is WNWOJBZDUXYCGN-LZATYKFISA-N. The full InChI is InChI=1S/C18H36N4O10/c1-22-6-2-5(20)15(31-17-9(21)13(27)11(25)7(3-19)29-17)16(10(6)24)32-18-14(28)12(26)8(4-23)30-18/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14+,15+,16+,17-,18-/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol?
(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol has a molecular weight of 468.50 g/mol, XLogP of -6.39, 7 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol is sourced from PubChem (CID 163056908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).