(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C12H24N2O5 — CID 11630485

IUPAC(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@@H]1[C@@H](O[C@H]2CCCC[C@@H]2N)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24N2O5/c13-6-3-1-2-4-7(6)18-12-9(14)11(17)10(16)8(5-15)19-12/h6-12,15-17H,1-5,13-14H2/t6-,7-,8-,9-,10-,11-,12-/m0/s1
InChIKeyUFMCAYCRSIHBRV-AQZQMLIPSA-N
MW276.33 g/mol
LogP-1.96
Rot. Bonds3

About (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 11630485) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID11630485
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@@H]1[C@@H](O[C@H]2CCCC[C@@H]2N)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24N2O5/c13-6-3-1-2-4-7(6)18-12-9(14)11(17)10(16)8(5-15)19-12/h6-12,15-17H,1-5,13-14H2/t6-,7-,8-,9-,10-,11-,12-/m0/s1
InChIKeyUFMCAYCRSIHBRV-AQZQMLIPSA-N
XLogP-1.96
TPSA131.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67874943
(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,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
(2R,3R,4S,5S,6R)-2-[(1S,2S)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11380413
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2R,3S,4S,5R,6S)-2,4-diamino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 42630793
4-amino-2-[2,4-diamino-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 58133579
5-amino-6-[5-amino-6-[5-amino-6-[6-[6-[6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-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 155886453
(1R,2R,3S,4S,5S,6R)-5-amino-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
CID 101491035
(3S,4S,6S)-5-amino-6-[(3S,4S,6S)-5-amino-6-[(3S,4S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 121391399
(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3R,4S,5S,6S)-5-amino-4,6-dihydroxy-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-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102243342
(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 10928740
(2S,3S,4R,5R,6S)-5-amino-6-[(2S,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 95048640

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 11630485) is (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol is N[C@@H]1[C@@H](O[C@H]2CCCC[C@@H]2N)O[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is UFMCAYCRSIHBRV-AQZQMLIPSA-N. The full InChI is InChI=1S/C12H24N2O5/c13-6-3-1-2-4-7(6)18-12-9(14)11(17)10(16)8(5-15)19-12/h6-12,15-17H,1-5,13-14H2/t6-,7-,8-,9-,10-,11-,12-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 276.33 g/mol, XLogP of -1.96, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 11630485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).