(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol

C20H41N5O10 — CID 90668417

IUPAC(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
SMILESCNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H41N5O10/c1-24-4-8-13(28)14(29)10(23)19(32-8)34-17-6(21)3-7(22)18(16(17)31)35-20-15(30)11(25-2)12(27)9(5-26)33-20/h6-20,24-31H,3-5,21-23H2,1-2H3/t6-,7+,8+,9+,10+,11-,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1
InChIKeyGLGCQNBPJWCQKJ-CPLFCHOMSA-N
MW511.57 g/mol
LogP-6.80
Rot. Bonds8

About (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol

(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol (PubChem CID 90668417) has the molecular formula C20H41N5O10 and a molecular weight of 511.57 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
PubChem CID90668417
Molecular FormulaC20H41N5O10
Molecular Weight511.57 g/mol
Exact Mass511.29
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
SMILESCNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H41N5O10/c1-24-4-8-13(28)14(29)10(23)19(32-8)34-17-6(21)3-7(22)18(16(17)31)35-20-15(30)11(25-2)12(27)9(5-26)33-20/h6-20,24-31H,3-5,21-23H2,1-2H3/t6-,7+,8+,9+,10+,11-,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1
InChIKeyGLGCQNBPJWCQKJ-CPLFCHOMSA-N
XLogP-6.80
TPSA260.42 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 5-6.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol with MolForge

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Related Compounds

(3S,6S)-5-amino-6-[(1R,4R)-4,6-diamino-3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 118213734
(3S,4R,6S)-5-amino-6-[(1R,2R,4R)-6-amino-3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 160821025
(2R,6R)-5-amino-2-(aminomethyl)-6-[(4R,6S)-4,6-diamino-3-[(2S,4S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 118518941
(3S,5S,6S)-5-amino-6-[(1R,3R)-4,6-diamino-2-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 118563853
5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
CID 70795905
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2,3-dihydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 167615692
(2S,3R,4S,5S,6R)-2-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25202222
(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
(2S,5S)-2-[(1R,4R)-4-amino-3-[(2S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(methylaminomethyl)oxane-3,4,5-triol
CID 70901524
N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-2-methylpropanamide
CID 71503173
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CID 154723975
5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-2-(ethylaminomethyl)oxane-3,4-diol
CID 77358948

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol (CID 90668417) is (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol is CNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The InChIKey is GLGCQNBPJWCQKJ-CPLFCHOMSA-N. The full InChI is InChI=1S/C20H41N5O10/c1-24-4-8-13(28)14(29)10(23)19(32-8)34-17-6(21)3-7(22)18(16(17)31)35-20-15(30)11(25-2)12(27)9(5-26)33-20/h6-20,24-31H,3-5,21-23H2,1-2H3/t6-,7+,8+,9+,10+,11-,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol has a molecular weight of 511.57 g/mol, XLogP of -6.80, 8 rotatable bonds, 11 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-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol is sourced from PubChem (CID 90668417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).