(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol

C6H13NO6 — CID 175358932

IUPAC(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)C(NO)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-12H,1H2/t2-,3?,4-,5?,6?/m1/s1
InChIKeyCGEWURYCNFIQCY-LSURHNDHSA-N
MW195.17 g/mol
LogP-3.23
Rot. Bonds2

About (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol

(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 175358932) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID175358932
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)C(NO)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-12H,1H2/t2-,3?,4-,5?,6?/m1/s1
InChIKeyCGEWURYCNFIQCY-LSURHNDHSA-N
XLogP-3.23
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 143537967
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 54146447
(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium
CID 58472988
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 175358932) is (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)C(NO)C(O)[C@@H]1O.
What is the InChIKey of (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is CGEWURYCNFIQCY-LSURHNDHSA-N. The full InChI is InChI=1S/C6H13NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-12H,1H2/t2-,3?,4-,5?,6?/m1/s1.
What are the key properties of (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 195.17 g/mol, XLogP of -3.23, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 175358932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).