(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol

C7H15NO4 — CID 167408601

IUPAC(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c8-1-4-3-12-5(2-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7-/m0/s1
InChIKeyUQIGQKLLOQOBLZ-WNJXEPBRSA-N
MW177.20 g/mol
LogP-2.33
Rot. Bonds2

About (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 167408601) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID167408601
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c8-1-4-3-12-5(2-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7-/m0/s1
InChIKeyUQIGQKLLOQOBLZ-WNJXEPBRSA-N
XLogP-2.33
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
CID 129103368
(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide
CID 57115755
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
CID 173298395

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 167408601) is (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol is NC[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is UQIGQKLLOQOBLZ-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H15NO4/c8-1-4-3-12-5(2-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 177.20 g/mol, XLogP of -2.33, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 167408601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).