(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol

C6H13NO6 — CID 91387854

IUPAC(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol
SMILESNOC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c7-13-6-4(11)2(9)1(8)3(10)5(6)12/h1-6,8-12H,7H2/t1?,2-,3+,4-,5+,6?
InChIKeyBKUXMJZZACENOU-GQXJQEMDSA-N
MW195.17 g/mol
LogP-3.94
Rot. Bonds1

About (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol

(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol (PubChem CID 91387854) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol
PubChem CID91387854
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol
SMILESNOC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c7-13-6-4(11)2(9)1(8)3(10)5(6)12/h1-6,8-12H,7H2/t1?,2-,3+,4-,5+,6?
InChIKeyBKUXMJZZACENOU-GQXJQEMDSA-N
XLogP-3.94
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(3S,5S)-4-aminooxy-6-ethynyliodanuidyloxane-2,3,5-triol
CID 163772112
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1S,2S,4R,5S)-6-silyloxycyclohexane-1,2,3,4,5-pentol
CID 173358327
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
CID 11636858
(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
CID 118274798
(3S,4S,5R)-5-aminooxy-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 67771232
[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyboronic acid
CID 91548997
(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
CID 155819857
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 145317527
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid;ethane
CID 145317526

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol (CID 91387854) is (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol is NOC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol?
The InChIKey is BKUXMJZZACENOU-GQXJQEMDSA-N. The full InChI is InChI=1S/C6H13NO6/c7-13-6-4(11)2(9)1(8)3(10)5(6)12/h1-6,8-12H,7H2/t1?,2-,3+,4-,5+,6?.
What are the key properties of (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol?
(1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol has a molecular weight of 195.17 g/mol, XLogP of -3.94, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-6-aminooxycyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 91387854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).