(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol

C7H15NO6 — CID 118274798

IUPAC(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
SMILESCO[C@@H]1[C@H](ON)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C7H15NO6/c1-12-6-5(14-8)4(10)3(2-9)13-7(6)11/h3-7,9-11H,2,8H2,1H3/t3?,4-,5-,6-,7-/m1/s1
InChIKeyIEERVFYRQRLPNT-VHQZISHXSA-N
MW209.20 g/mol
LogP-2.67
Rot. Bonds3

About (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol

(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol (PubChem CID 118274798) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
PubChem CID118274798
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
SMILESCO[C@@H]1[C@H](ON)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C7H15NO6/c1-12-6-5(14-8)4(10)3(2-9)13-7(6)11/h3-7,9-11H,2,8H2,1H3/t3?,4-,5-,6-,7-/m1/s1
InChIKeyIEERVFYRQRLPNT-VHQZISHXSA-N
XLogP-2.67
TPSA114.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
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,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(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
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(3S,4S,5R)-5-aminooxy-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 67771232
N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide
CID 118274787
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The IUPAC name of (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol (CID 118274798) is (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol.
What is the SMILES notation for (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The canonical SMILES for (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol is CO[C@@H]1[C@H](ON)[C@H](O)C(CO)O[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The InChIKey is IEERVFYRQRLPNT-VHQZISHXSA-N. The full InChI is InChI=1S/C7H15NO6/c1-12-6-5(14-8)4(10)3(2-9)13-7(6)11/h3-7,9-11H,2,8H2,1H3/t3?,4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol has a molecular weight of 209.20 g/mol, XLogP of -2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol is sourced from PubChem (CID 118274798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).