[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

C6H14NO5+ — CID 3258796

IUPAC[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
SMILES[NH3+]C1C(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/p+1
InChIKeyMSWZFWKMSRAUBD-UHFFFAOYSA-O
MW180.18 g/mol
LogP-3.97
Rot. Bonds1

About [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium (PubChem CID 3258796) has the molecular formula C6H14NO5+ and a molecular weight of 180.18 g/mol. Its IUPAC name is [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium.

Molecular Properties

Compound Name[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
PubChem CID3258796
Molecular FormulaC6H14NO5+
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
SMILES[NH3+]C1C(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/p+1
InChIKeyMSWZFWKMSRAUBD-UHFFFAOYSA-O
XLogP-3.97
TPSA117.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-3.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 45266741
[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 7568489
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 117071743
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188

Frequently Asked Questions

What is the IUPAC name of [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The IUPAC name of [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium (CID 3258796) is [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium.
What is the SMILES notation for [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The canonical SMILES for [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium is [NH3+]C1C(O)OC(CO)C(O)C1O.
What is the InChIKey of [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The InChIKey is MSWZFWKMSRAUBD-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium has a molecular weight of 180.18 g/mol, XLogP of -3.97, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium is sourced from PubChem (CID 3258796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).