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

C6H13NO4 — CID 156818460

IUPAC(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2,7H2/t3?,4-,5-,6+/m1/s1
InChIKeyMXRBVRXQDKNIBH-SJLAOBFJSA-N
MW163.17 g/mol
LogP-2.57
Rot. Bonds1

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

(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 156818460) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID156818460
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2,7H2/t3?,4-,5-,6+/m1/s1
InChIKeyMXRBVRXQDKNIBH-SJLAOBFJSA-N
XLogP-2.57
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol
CID 118554665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
CID 129103368
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(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
3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol (CID 156818460) is (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol is NC1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is MXRBVRXQDKNIBH-SJLAOBFJSA-N. The full InChI is InChI=1S/C6H13NO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2,7H2/t3?,4-,5-,6+/m1/s1.
What are the key properties of (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.57, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 156818460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).