(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid

C6H13NO9 — CID 141402236

IUPAC(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid
SMILESO=[N+]([O-])O.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.HNO3/c7-1-2-3(8)4(9)5(10)6(11)12-2;2-1(3)4/h2-11H,1H2;(H,2,3,4)/t2-,3-,4+,5+,6+;/m1./s1
InChIKeyAOFVLRFQBZKQIG-XECIQJBQSA-N
MW243.17 g/mol
LogP-3.57
Rot. Bonds1

About (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid

(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid (PubChem CID 141402236) has the molecular formula C6H13NO9 and a molecular weight of 243.17 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid
PubChem CID141402236
Molecular FormulaC6H13NO9
Molecular Weight243.17 g/mol
Exact Mass243.06
IUPAC Name(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid
SMILESO=[N+]([O-])O.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.HNO3/c7-1-2-3(8)4(9)5(10)6(11)12-2;2-1(3)4/h2-11H,1H2;(H,2,3,4)/t2-,3-,4+,5+,6+;/m1./s1
InChIKeyAOFVLRFQBZKQIG-XECIQJBQSA-N
XLogP-3.57
TPSA173.75 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.17
LogP ≤ 5-3.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid?
The IUPAC name of (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid (CID 141402236) is (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid.
What is the SMILES notation for (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid?
The canonical SMILES for (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid is O=[N+]([O-])O.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid?
The InChIKey is AOFVLRFQBZKQIG-XECIQJBQSA-N. The full InChI is InChI=1S/C6H12O6.HNO3/c7-1-2-3(8)4(9)5(10)6(11)12-2;2-1(3)4/h2-11H,1H2;(H,2,3,4)/t2-,3-,4+,5+,6+;/m1./s1.
What are the key properties of (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid?
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid has a molecular weight of 243.17 g/mol, XLogP of -3.57, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;nitric acid is sourced from PubChem (CID 141402236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).