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

C6H13NO5 — CID 739

IUPAC3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2
InChIKeyMSWZFWKMSRAUBD-UHFFFAOYSA-N
MW179.17 g/mol
LogP-3.26
Rot. Bonds1

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

3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 739) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID739
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2
InChIKeyMSWZFWKMSRAUBD-UHFFFAOYSA-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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Related Compounds

D-Glucosamine
CID 439213
beta-D-Glucosamine
CID 441477
D-Galactosamine
CID 24154
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 9859210
Glucosamine 6-Phosphate
CID 439217
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 2723635
Glucosamine 6-sulfate
CID 72361
6-(alpha-D-glucosaminyl)-1D-myo-inositol
CID 445937
D-glucosamine 6-phosphate
CID 440997
alpha-D-Glucosamine 1-phosphate
CID 188960
alpha-D-Galactosamine 1-phosphate
CID 493587
GlyTouCan:G22398UQ
CID 9838047

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (CID 739) is 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is NC1C(O)OC(CO)C(O)C1O.
What is the InChIKey of 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is MSWZFWKMSRAUBD-UHFFFAOYSA-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.
What are the key properties of 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
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 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).