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

C6H13NO5 — CID 57483953

IUPAC(2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESN[C@]1(O)CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyIVLOCTMRFXSJBY-ZXXMMSQZSA-N
MW179.17 g/mol
LogP-3.25
Rot. Bonds1

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

(2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 57483953) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID57483953
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESN[C@]1(O)CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyIVLOCTMRFXSJBY-ZXXMMSQZSA-N
XLogP-3.25
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol (CID 57483953) is (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol is N[C@]1(O)CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IVLOCTMRFXSJBY-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H13NO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 179.17 g/mol, XLogP of -3.25, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-amino-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 57483953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).