(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol

C6H11NO5 — CID 129103368

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
SMILESO=N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c8-1-4-6(10)5(9)3(7-11)2-12-4/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyNCWSBCVQSCHLFJ-SLPGGIOYSA-N
MW177.16 g/mol
LogP-1.77
Rot. Bonds2

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol (PubChem CID 129103368) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
PubChem CID129103368
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
SMILESO=N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c8-1-4-6(10)5(9)3(7-11)2-12-4/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyNCWSBCVQSCHLFJ-SLPGGIOYSA-N
XLogP-1.77
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide
CID 57115755
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol (CID 129103368) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol is O=N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol?
The InChIKey is NCWSBCVQSCHLFJ-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-1-4-6(10)5(9)3(7-11)2-12-4/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol has a molecular weight of 177.16 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol is sourced from PubChem (CID 129103368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).