6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol

C6H11NO6 — CID 89164102

IUPAC6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
SMILESO=NC1C(O)C(O)OC(CO)C1O
InChIInChI=1S/C6H11NO6/c8-1-2-4(9)3(7-12)5(10)6(11)13-2/h2-6,8-11H,1H2
InChIKeyZNWPPKWEPYIGDG-UHFFFAOYSA-N
MW193.16 g/mol
LogP-2.45
Rot. Bonds2

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

6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol (PubChem CID 89164102) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
PubChem CID89164102
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
SMILESO=NC1C(O)C(O)OC(CO)C1O
InChIInChI=1S/C6H11NO6/c8-1-2-4(9)3(7-12)5(10)6(11)13-2/h2-6,8-11H,1H2
InChIKeyZNWPPKWEPYIGDG-UHFFFAOYSA-N
XLogP-2.45
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol 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

2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
CID 89010600
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
6-methyl-4-nitrosooxane-2,3,5-triol
CID 163957817
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(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
(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

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol?
The IUPAC name of 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol (CID 89164102) is 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol.
What is the SMILES notation for 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol?
The canonical SMILES for 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol is O=NC1C(O)C(O)OC(CO)C1O.
What is the InChIKey of 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol?
The InChIKey is ZNWPPKWEPYIGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6/c8-1-2-4(9)3(7-12)5(10)6(11)13-2/h2-6,8-11H,1H2.
What are the key properties of 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol?
6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol has a molecular weight of 193.16 g/mol, XLogP of -2.45, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol is sourced from PubChem (CID 89164102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).