(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol

C7H16N2O4 — CID 90657093

IUPAC(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
SMILESCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N
InChIInChI=1S/C7H16N2O4/c1-9-4-6(12)5(11)3(2-10)13-7(4)8/h3-7,9-12H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1
InChIKeyKRXCXLSDTMPIDF-NYMZXIIRSA-N
MW192.22 g/mol
LogP-3.03
Rot. Bonds2

About (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol

(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol (PubChem CID 90657093) has the molecular formula C7H16N2O4 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
PubChem CID90657093
Molecular FormulaC7H16N2O4
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
SMILESCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N
InChIInChI=1S/C7H16N2O4/c1-9-4-6(12)5(11)3(2-10)13-7(4)8/h3-7,9-12H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1
InChIKeyKRXCXLSDTMPIDF-NYMZXIIRSA-N
XLogP-3.03
TPSA107.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol with MolForge

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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
(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174104618
(2R,3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11095207
(2S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59101286
(2S,3R,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155653214
(2R,3S,4R,5R,6S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94005021
(3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11665493
(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
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol (CID 90657093) is (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol is CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N.
What is the InChIKey of (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The InChIKey is KRXCXLSDTMPIDF-NYMZXIIRSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-9-4-6(12)5(11)3(2-10)13-7(4)8/h3-7,9-12H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol has a molecular weight of 192.22 g/mol, XLogP of -3.03, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol is sourced from PubChem (CID 90657093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).