(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol

C6H13NO6 — CID 156617029

IUPAC(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
SMILESNOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c7-12-1-2-3(8)4(9)5(10)6(11)13-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyACNAZJJAOISVBI-PQMKYFCFSA-N
MW195.17 g/mol
LogP-3.32
Rot. Bonds2

About (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 156617029) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
PubChem CID156617029
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
SMILESNOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c7-12-1-2-3(8)4(9)5(10)6(11)13-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyACNAZJJAOISVBI-PQMKYFCFSA-N
XLogP-3.32
TPSA125.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol
CID 163807819
methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol (CID 156617029) is (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol is NOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is ACNAZJJAOISVBI-PQMKYFCFSA-N. The full InChI is InChI=1S/C6H13NO6/c7-12-1-2-3(8)4(9)5(10)6(11)13-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 195.17 g/mol, XLogP of -3.32, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 156617029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).