2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol

C6H14N2O4 — CID 176999192

IUPAC2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
SMILESNC1OC(CO)C(N)C(O)C1O
InChIInChI=1S/C6H14N2O4/c7-3-2(1-9)12-6(8)5(11)4(3)10/h2-6,9-11H,1,7-8H2
InChIKeyWPZFIPKXFQEKOY-UHFFFAOYSA-N
MW178.19 g/mol
LogP-3.29
Rot. Bonds1

About 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol

2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 176999192) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID176999192
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
SMILESNC1OC(CO)C(N)C(O)C1O
InChIInChI=1S/C6H14N2O4/c7-3-2(1-9)12-6(8)5(11)4(3)10/h2-6,9-11H,1,7-8H2
InChIKeyWPZFIPKXFQEKOY-UHFFFAOYSA-N
XLogP-3.29
TPSA121.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-3.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174104618
(2R,3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11095207
(2S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59101286
(2S,3R,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155653214
(2R,3S,4R,5R,6S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94005021
(3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11665493
(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride
CID 70543621
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol (CID 176999192) is 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol is NC1OC(CO)C(N)C(O)C1O.
What is the InChIKey of 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WPZFIPKXFQEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c7-3-2(1-9)12-6(8)5(11)4(3)10/h2-6,9-11H,1,7-8H2.
What are the key properties of 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol?
2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 178.19 g/mol, XLogP of -3.29, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 176999192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).