(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol

C7H15NO4 — CID 101213887

IUPAC(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
SMILESCO[C@H]1C[C@H](N)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H15NO4/c1-11-6-2-4(8)7(10)5(3-9)12-6/h4-7,9-10H,2-3,8H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyFEOSBRNHHYNQSH-WNJXEPBRSA-N
MW177.20 g/mol
LogP-1.57
Rot. Bonds2

About (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol

(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol (PubChem CID 101213887) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
PubChem CID101213887
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
SMILESCO[C@H]1C[C@H](N)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H15NO4/c1-11-6-2-4(8)7(10)5(3-9)12-6/h4-7,9-10H,2-3,8H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyFEOSBRNHHYNQSH-WNJXEPBRSA-N
XLogP-1.57
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine
CID 131848824
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The IUPAC name of (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol (CID 101213887) is (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol.
What is the SMILES notation for (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The canonical SMILES for (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol is CO[C@H]1C[C@H](N)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
The InChIKey is FEOSBRNHHYNQSH-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H15NO4/c1-11-6-2-4(8)7(10)5(3-9)12-6/h4-7,9-10H,2-3,8H2,1H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol?
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol has a molecular weight of 177.20 g/mol, XLogP of -1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol is sourced from PubChem (CID 101213887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).