(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

C6H13NO5 — CID 24154

IUPAC(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyMSWZFWKMSRAUBD-GASJEMHNSA-N
MW179.17 g/mol
LogP-3.26
Rot. Bonds1

About (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 24154) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID24154
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyMSWZFWKMSRAUBD-GASJEMHNSA-N
XLogP-3.26
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 ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (CID 24154) is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is MSWZFWKMSRAUBD-GASJEMHNSA-N. The full InChI is InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 179.17 g/mol, XLogP of -3.26, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 24154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).