(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol

C5H9NO4 — CID 139470569

IUPAC(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol
SMILESCC1O[C@H](O)[C@H](O)C1N=O
InChIInChI=1S/C5H9NO4/c1-2-3(6-9)4(7)5(8)10-2/h2-5,7-8H,1H3/t2?,3?,4-,5+/m1/s1
InChIKeyZJMYKJYAVSVLNO-CIQQZFMOSA-N
MW147.13 g/mol
LogP-0.78
Rot. Bonds1

About (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol

(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol (PubChem CID 139470569) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol
PubChem CID139470569
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol
SMILESCC1O[C@H](O)[C@H](O)C1N=O
InChIInChI=1S/C5H9NO4/c1-2-3(6-9)4(7)5(8)10-2/h2-5,7-8H,1H3/t2?,3?,4-,5+/m1/s1
InChIKeyZJMYKJYAVSVLNO-CIQQZFMOSA-N
XLogP-0.78
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-nitrosooxane-2,3,5-triol
CID 163957817
2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
CID 89010600
6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
CID 89164102
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
6-methyl-1,3-dioxane-2,4,5-triol
CID 163702397

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol?
The IUPAC name of (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol (CID 139470569) is (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol.
What is the SMILES notation for (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol?
The canonical SMILES for (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol is CC1O[C@H](O)[C@H](O)C1N=O.
What is the InChIKey of (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol?
The InChIKey is ZJMYKJYAVSVLNO-CIQQZFMOSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2-3(6-9)4(7)5(8)10-2/h2-5,7-8H,1H3/t2?,3?,4-,5+/m1/s1.
What are the key properties of (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol?
(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol has a molecular weight of 147.13 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol is sourced from PubChem (CID 139470569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).