(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol

C11H22N2O6 — CID 143974221

IUPAC(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
SMILESN[C@@H]1C[C@H](N)[C@@H](O)C(O[C@@H]2O[C@H](CO)C[C@H]2O)[C@H]1O
InChIInChI=1S/C11H22N2O6/c12-5-2-6(13)9(17)10(8(5)16)19-11-7(15)1-4(3-14)18-11/h4-11,14-17H,1-3,12-13H2/t4-,5-,6+,7+,8+,9-,10?,11-/m0/s1
InChIKeyHUCYHUKREQLTSO-ODDLVPPRSA-N
MW278.31 g/mol
LogP-3.38
Rot. Bonds3

About (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol

(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol (PubChem CID 143974221) has the molecular formula C11H22N2O6 and a molecular weight of 278.31 g/mol. Its IUPAC name is (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
PubChem CID143974221
Molecular FormulaC11H22N2O6
Molecular Weight278.31 g/mol
Exact Mass278.15
IUPAC Name(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
SMILESN[C@@H]1C[C@H](N)[C@@H](O)C(O[C@@H]2O[C@H](CO)C[C@H]2O)[C@H]1O
InChIInChI=1S/C11H22N2O6/c12-5-2-6(13)9(17)10(8(5)16)19-11-7(15)1-4(3-14)18-11/h4-11,14-17H,1-3,12-13H2/t4-,5-,6+,7+,8+,9-,10?,11-/m0/s1
InChIKeyHUCYHUKREQLTSO-ODDLVPPRSA-N
XLogP-3.38
TPSA151.42 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.31
LogP ≤ 5-3.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol with MolForge

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Related Compounds

(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4S,6S)-3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxycyclohexane-1,2-diol
CID 12900028
(2R,3S,4R,5R,6S)-3-amino-2-[(2S,3R,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;(2S,3R,4S,5S,6R)-3-amino-2-[(2R,3S,4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4R,6S)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;tris(lanthanum(3+))
CID 139211987
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 147119634
2-(aminomethyl)-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxyoxane-3,5-diol;sulfuric acid
CID 118816015
(6R)-5-amino-2-(aminomethyl)-6-[(2R,5S)-5-[(6R)-3,5-diamino-2,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 70863978
(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
2-[3,5-diamino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 162850276
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol?
The IUPAC name of (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol (CID 143974221) is (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol.
What is the SMILES notation for (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol?
The canonical SMILES for (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol is N[C@@H]1C[C@H](N)[C@@H](O)C(O[C@@H]2O[C@H](CO)C[C@H]2O)[C@H]1O.
What is the InChIKey of (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol?
The InChIKey is HUCYHUKREQLTSO-ODDLVPPRSA-N. The full InChI is InChI=1S/C11H22N2O6/c12-5-2-6(13)9(17)10(8(5)16)19-11-7(15)1-4(3-14)18-11/h4-11,14-17H,1-3,12-13H2/t4-,5-,6+,7+,8+,9-,10?,11-/m0/s1.
What are the key properties of (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol?
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol has a molecular weight of 278.31 g/mol, XLogP of -3.38, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol is sourced from PubChem (CID 143974221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).